A0A087YAZ5_POEFO Loading...

Sodium/potassium-transporting ATPase subunit alpha

This is the catalytic component of the active enzyme, which catalyzes the hydrolysis of ATP coupled with the exchange of sodium and potassium ions across the plasma membrane. This action creates the electrochemical gradient of sodium and potassium ions, providing the energy for active transport of various nutrients.

AlphaFold DB , UniProt , Accession A0A087YAZ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,023 aa.

						>A0A087YAZ5_POEFO|A0A087YAZ5
MGLGKGKDDYKPAATSEHNEKKKKKGKQKKDMDELKKEVDLDDHKLTLDELHRKYGTDLSRGLSASRAKDILARDGPNALTPPPTTPEWVKFCKQLFGGFSMLLWIGAILCFLAYGIQAAAEDEPANDNLYLGIVLSAVVIITGCFSYYQEAKSSKIMESFKNLVPQQALVVRDGEKKSINAEDVVAGDLVEVKGGDRIPADLRIISAHGCKVDNSSLTGESEPQTRSPEFTNDNPLETRNIAFFSTNCVEGTARGIVINTGDRTVMGRIATLASSLEGGKTPIAIEIEHFIHIITGVAVFLGVSFFILSLILGYGWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRMAKKNCLVKNLEAVETLGSTSTICSDKTGTLTQNRMTVAHMWFDNQIHEADTTENQSGTSFDRSSATWASLARIAGLCNRAVFLAEQNNVPILKRDVAGDASEAALLKCIELCCGSVKDMREKYPKVAEIPFNSTNKYQLSIHKNATPGETKHLLVMKGAPERILDRCSTIVLHGKEQPLDDEMKDAFQNAYVELGGLGERVLGFCHFHLPDDQFPDGFAFDTDEVNFPTENLCFIGLMAMIDPPRAAVPDAVGKCRSAGIKVIMVTGDHPITAKAIAKGVGIISEGNETVEDIAARLNVPISEVNPRDAKACVVHGGELKDLTTEQLDEILKHHAEIVFARTSPQQKLIIVEGCQRQGAIVAVTGDGVNDSPALKKADIGVAMGIAGSDVSKQAADMILLDDNFASIVTGVEEGRLIFDNLKKSIAYTLTSNIPEISPFLLFIIANIPLPLGTVTILCIDLGTDMVPAISLAYEAAESDIMKRQPRNPKTDKLVNERLISMAYGQIGMMQASAGFFTYFVILAENGFLPMDLLGIRVLWDDKYVNDLEDSYGQQWTYERRKIVEFTCHTAFFTSIVIVQWADLIICKTRRNSIVQQGMKNRILIFGLFEETALAAFLSYCPGMDVALRMYPLKPAWWFCAFPYSFLIFLYDEVRRYILRRNPGGWVEQETYY
					

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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	34.2	Very low	31.3	Very low	256 Å²	256	163.8 Å²	163.8	100%	1.261	89%	0.889	S	S	*	*				0	130.4	0	-80.4	-179.9	179.5	0	0	108.3
2	G	34	Very low	31	Very low	82 Å²	82	159.3 Å²	159.3	85%	0.845	87%	0.874	S	S	*	*			trans	124.2	92	165.1	0	0	0	0	0	115.2
3	L	34.1	Very low	30.9	Very low	179 Å²	179	154.8 Å²	154.8	94%	0.937	87%	0.871	S	S	*	*			trans	-63.5	148	172.4	-75.6	129.8	0	0	0	113.1
4	G	31.8	Very low	30.8	Very low	81 Å²	81	150.3 Å²	150.3	84%	0.835	86%	0.863	S	S	*	*			trans	-143.3	104.1	165.1	0	0	0	0	0	111.2
5	K	33.7	Very low	31	Very low	206 Å²	206	149.3 Å²	149.3	90%	0.896	86%	0.861	S	S	*	*			trans	-64.4	142.7	-176.7	-77.4	171.7	167.7	175.6	0	113.1
6	G	30.8	Very low	30.9	Very low	74 Å²	74	145.7 Å²	145.7	76%	0.763	85%	0.847	S	S	*	*			trans	-65.8	152	163.5	0	0	0	0	0	112.9
7	K	30.5	Very low	31	Very low	205 Å²	205	147.4 Å²	147.4	89%	0.891	85%	0.846	S	S	*	*			trans	-138.9	117.7	158.2	-92.3	-172.4	173.3	-176.7	0	108
8	D	32.8	Very low	31.2	Very low	160 Å²	160	150.1 Å²	150.1	86%	0.856	85%	0.849	S	S	*	*			trans	-63.1	130.2	165	-60.4	-57.7	0	0	0	109.9
9	D	29	Very low	31.1	Very low	160 Å²	160	147.9 Å²	147.9	86%	0.856	84%	0.835	S	S	*	*			trans	-124.2	92.9	159.5	-98.2	-20.3	0	0	0	108.2
10	Y	27.2	Very low	31.2	Very low	214 Å²	214	146.7 Å²	146.7	84%	0.839	82%	0.822	S	S	*	*			trans	-77.7	114.3	168.7	-171.7	-94.8	0	0	0	108.7
11	K	26	Very low	31.5	Very low	185 Å²	185	148.7 Å²	148.7	80%	0.804	82%	0.822	S	S	*	*			trans	-105.6	120.8	167.8	-78.9	-173.8	178.2	178.4	0	109.8	A13	K11-A13 PolarHBondContact O-N 3.28Å
12	P	28.3	Very low	31.3	Very low	109 Å²	109	145.2 Å²	145.2	71%	0.708	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-69.5	122.8	172.9	27.4	-30	0	0	0	109.4	A14	P12-A14 PolarHBondContact O-N 3.28Å
13	A	29.3	Very low	31.2	Very low	101 Å²	101	149.3 Å²	149.3	84%	0.835	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-71.9	118.9	176.4	0	0	0	0	0	109.8	K11	K11-A13 PolarHBondContact O-N 3.28Å
14	A	29.1	Very low	31.4	Very low	92 Å²	92	147.3 Å²	147.3	76%	0.76	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-58.1	135.3	173.8	0	0	0	0	0	111.5	P12 S16	P12-A14 PolarHBondContact O-N 3.28Å; A14-S16 PolarHBondContact O-N 2.77Å
15	T	33.9	Very low	31.6	Very low	135 Å²	135	151.3 Å²	151.3	83%	0.828	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-57.9	125.7	171.2	36.7	0	0	0	0	110.7
16	S	29.7	Very low	31.5	Very low	92 Å²	92	143.6 Å²	143.6	64%	0.643	75%	0.751	S	S	*	*			trans	-125.6	88.3	169.7	51.4	0	0	0	0	109.7	A14 H18	A14-S16 PolarHBondContact O-N 2.77Å; S16-H18 PolarHBondContact O-N 3.23Å; S16-H18 VanDerWaalsContact O-N 3.1Å
17	E	33.4	Very low	32.1	Very low	175 Å²	175	147.1 Å²	147.1	82%	0.818	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	6.6	-175.8	-74.1	-172.4	145.5	0	0	115.4
18	H	33.2	Very low	33.1	Very low	195 Å²	195	143.7 Å²	143.7	90%	0.903	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.1	5.2	-178.8	-86.9	-42.5	0	0	0	116.6	S16	S16-H18 PolarHBondContact O-N 3.23Å; S16-H18 VanDerWaalsContact O-N 3.1Å
19	N	30.5	Very low	34	Very low	109 Å²	109	143.1 Å²	143.1	58%	0.583	72%	0.723	S	S	*	*	S	Bend	trans	-114.6	-0.7	178.3	-118	-18.4	0	0	0	115.4
20	E	33.3	Very low	35	Very low	124 Å²	124	143.4 Å²	143.4	58%	0.579	72%	0.716	S	S	*	*	H	α-helix	trans	-73.4	-34.1	-176.5	-74.1	-158.6	153.9	0	0	114.2	K22 K23 K24	E20-K22 PolarHBondContact O-N 3.31Å; E20-K23 PolarHBondContact O-N 2.98Å; E20-K24 WeakPolarHBondContact O-CB 3.44Å; E20-K24 PolarHBondContact O-N 3.21Å
21	K	36.3	Very low	36.7	Very low	189 Å²	189	137.3 Å²	137.3	82%	0.822	70%	0.698	S	S	*	*	H	α-helix	trans	-67	-35.8	-175.7	-78.2	-176.2	178.4	176.9	0	113.4	K25	K21-K25 PolarHBondContact O-N 2.77Å
22	K	29.8	Very low	38.6	Very low	183 Å²	183	130.4 Å²	130.4	80%	0.796	67%	0.669	S	S	*	*	H	α-helix	trans	-75.6	-37.3	174.7	-87.7	-175.4	176.1	178.2	0	112.3	E20 G26	E20-K22 PolarHBondContact O-N 3.31Å; K22-G26 PolarHBondContact O-N 3.42Å
23	K	33	Very low	40.5	Very low	168 Å²	168	129.2 Å²	129.2	73%	0.73	66%	0.657	S	S	*	*	H	α-helix	trans	-68.6	-37.5	174.2	-93.6	-176	175.1	179	0	113	E20 G26 K27	E20-K23 PolarHBondContact O-N 2.98Å; K23-G26 PolarHBondContact O-N 2.73Å; K23-K27 VanDerWaalsContact O-CB 3.29Å; K23-K27 WeakPolarHBondContact O-CB 3.27Å; K23-K27 PolarHBondContact O-N 3.09Å
24	K	37.2	Very low	42.3	Very low	136 Å²	136	130.3 Å²	130.3	59%	0.591	65%	0.645	S	S	*	*	H	α-helix	trans	-64.2	-47.1	177.7	-99.8	177.9	172.6	166.8	0	112.7	E20 G26 K27 Q28	E20-K24 WeakPolarHBondContact O-CB 3.44Å; E20-K24 PolarHBondContact O-N 3.21Å; K24-G26 PolarHBondContact O-N 2.74Å; K24-K27 PolarHBondContact O-N 3.38Å; K24-Q28 WeakPolarHBondContact O-CB 3.43Å; K24-Q28 PolarHBondContact O-N 3.18Å
25	K	36.6	Very low	44.2	Very low	165 Å²	165	127.6 Å²	127.6	72%	0.717	62%	0.618	S	S	*	*	H	α-helix	trans	-62.5	-40.7	175.4	-83.9	-167.5	174.4	-170.8	0	112.4	K21 K29	K21-K25 PolarHBondContact O-N 2.77Å; K25-K29 WeakPolarHBondContact O-CB 3.27Å; K25-K29 PolarHBondContact O-N 3.07Å
26	G	32.5	Very low	45.9	Very low	44 Å²	44	123.4 Å²	123.4	45%	0.454	59%	0.588	S	S	.	*	H	α-helix	trans	-65.6	-37	175.5	0	0	0	0	0	113.4	K22 K23 K24 K30	K22-G26 PolarHBondContact O-N 3.42Å; K23-G26 PolarHBondContact O-N 2.73Å; K24-G26 PolarHBondContact O-N 2.74Å; G26-K30 PolarHBondContact O-N 2.83Å
27	K	42.7	Very low	47.8	Very low	149 Å²	149	125.8 Å²	125.8	65%	0.648	59%	0.586	S	S	*	*	H	α-helix	trans	-72.2	-43.6	177.1	-166.1	177	179.3	-175.5	0	112.2	K23 K24 K29 K30 D31	K23-K27 VanDerWaalsContact O-CB 3.29Å; K23-K27 WeakPolarHBondContact O-CB 3.27Å; K23-K27 PolarHBondContact O-N 3.09Å; K24-K27 PolarHBondContact O-N 3.38Å; K27-K29 PolarHBondContact O-N 2.93Å; K27-K30 WeakPolarHBondContact O-CB 3.32Å; K27-K30 PolarHBondContact O-N 3.43Å; K27-D31 PolarHBondContact O-N 3.03Å
28	Q	51.7	Low	49.3	Very low	133 Å²	133	120.4 Å²	120.4	62%	0.621	56%	0.562	S	S	*	*	H	α-helix	trans	-60.1	-42.5	173.8	-95.3	179.1	-32.4	0	0	112.6	K24 K30 D31 M32	K24-Q28 WeakPolarHBondContact O-CB 3.43Å; K24-Q28 PolarHBondContact O-N 3.18Å; Q28-K30 VanDerWaalsContact C-N 3.31Å; Q28-K30 PolarHBondContact O-N 3.37Å; Q28-D31 PolarHBondContact O-N 3.4Å; Q28-M32 WeakPolarHBondContact O-CG 3.43Å; Q28-M32 PolarHBondContact O-N 3.41Å
29	K	51.8	Low	50.9	Low	148 Å²	148	112.1 Å²	112.1	64%	0.643	53%	0.525	S	S	*	.	H	α-helix	trans	-65	-37.9	177.3	-157.7	177.5	-177.4	-176.5	0	111.7	K25 K27 M32 D33	K25-K29 WeakPolarHBondContact O-CB 3.27Å; K25-K29 PolarHBondContact O-N 3.07Å; K27-K29 PolarHBondContact O-N 2.93Å; K29-M32 PolarHBondContact O-N 3.08Å; K29-D33 PolarHBondContact O-N 3.1Å; K29-D33 VanDerWaalsContact O-N 3.09Å
30	K	49.8	Very low	52.7	Low	165 Å²	165	113.6 Å²	113.6	72%	0.717	53%	0.532	S	S	*	.	H	α-helix	trans	-65.2	-42.5	174.5	-120.8	-178.1	175.6	-172.8	0	113	G26 K27 Q28 M32 D33 E34	G26-K30 PolarHBondContact O-N 2.83Å; K27-K30 WeakPolarHBondContact O-CB 3.32Å; K27-K30 PolarHBondContact O-N 3.43Å; Q28-K30 VanDerWaalsContact C-N 3.31Å; Q28-K30 PolarHBondContact O-N 3.37Å; K30-M32 VanDerWaalsContact C-N 3.34Å; K30-D33 PolarHBondContact O-N 3.43Å; K30-E34 PolarHBondContact O-N 3.17Å; K30-E34 VanDerWaalsContact O-N 3.11Å
31	D	62.7	Low	54.9	Low	86 Å²	86	108 Å²	108	46%	0.46	51%	0.506	S	S	.	.	H	α-helix	trans	-61.7	-40.3	174.6	-98	-18	0	0	0	111.7	K27 Q28 E34 L35	K27-D31 PolarHBondContact O-N 3.03Å; Q28-D31 PolarHBondContact O-N 3.4Å; D31-E34 WeakPolarHBondContact O-CB 3.42Å; D31-E34 PolarHBondContact O-N 3.37Å; D31-L35 WeakPolarHBondContact O-CG 3.36Å; D31-L35 PolarHBondContact O-N 3.37Å
32	M	66.6	Low	57.1	Low	40 Å²	40	103 Å²	103	20%	0.197	49%	0.488	C	S	.	.	H	α-helix	trans	-67.8	-42.5	178.9	-73.6	-61	-62.8	0	0	112.7	Q28 K29 K30 E34 L35 K36 L273 S276 L277	Q28-M32 WeakPolarHBondContact O-CG 3.43Å; Q28-M32 PolarHBondContact O-N 3.41Å; K29-M32 PolarHBondContact O-N 3.08Å; K30-M32 VanDerWaalsContact C-N 3.34Å; M32-E34 PolarHBondContact O-N 3.13Å; M32-L35 PolarHBondContact O-N 2.9Å; M32-L35 HydrophobicContact SD-CD1 4.09Å; M32-K36 WeakPolarHBondContact O-CG 3.33Å; M32-K36 PolarHBondContact O-N 3.42Å; M32-L273 HydrophobicContact CE-CD1 3.86Å; M32-S276 VanDerWaalsContact CE-OG 3.24Å; M32-S276 WeakPolarHBondContact CE-OG 3.14Å; M32-S276 PolarHBondContact SD-OG 3Å; M32-L277 HydrophobicContact CE-CD2 4.15Å; M32-L277 HydrophobicContact CE-CG 4.28Å
33	D	67.8	Low	59.9	Low	85 Å²	85	95 Å²	95	46%	0.455	45%	0.454	S	S	.	.	H	α-helix	trans	-65.4	-27.2	175.2	-69.9	-22.4	0	0	0	111.6	K29 K30	K29-D33 PolarHBondContact O-N 3.1Å; K29-D33 VanDerWaalsContact O-N 3.09Å; K30-D33 PolarHBondContact O-N 3.43Å
34	E	67.4	Low	62.6	Low	123 Å²	123	87 Å²	87	58%	0.575	42%	0.42	S	S	*	.	H	α-helix	trans	-74.3	-39.9	172.8	-167.3	172.9	174	0	0	112.3	K30 D31 M32 K36 K37	K30-E34 PolarHBondContact O-N 3.17Å; K30-E34 VanDerWaalsContact O-N 3.11Å; D31-E34 WeakPolarHBondContact O-CB 3.42Å; D31-E34 PolarHBondContact O-N 3.37Å; M32-E34 PolarHBondContact O-N 3.13Å; E34-K36 VanDerWaalsContact C-N 3.25Å; E34-K36 PolarHBondContact O-N 3.46Å; E34-K37 WeakPolarHBondContact O-CB 3.2Å; E34-K37 PolarHBondContact O-N 3.38Å; E34-K37 VanDerWaalsContact O-N 3.13Å
35	L	68.7	Low	65.2	Low	36 Å²	36	84.9 Å²	84.9	19%	0.188	41%	0.41	C	S	.	.	H	α-helix	trans	-65	-28.5	173	-75.4	165.4	0	0	0	113.1	D31 M32 K37 R269 T272 L273	D31-L35 WeakPolarHBondContact O-CG 3.36Å; D31-L35 PolarHBondContact O-N 3.37Å; M32-L35 PolarHBondContact O-N 2.9Å; M32-L35 HydrophobicContact SD-CD1 4.09Å; L35-K37 VanDerWaalsContact C-N 3.27Å; L35-K37 PolarHBondContact O-N 3.23Å; L35-R269 HydrophobicContact CD2-CB 4.48Å; L35-T272 HydrophobicContact CD1-CG2 4.4Å; L35-L273 HydrophobicContact CB-CD1 4.1Å
36	K	68.5	Low	67.9	Low	47 Å²	47	79.3 Å²	79.3	20%	0.204	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-15.3	173.9	-75.8	-175.1	172.5	-160.9	0	113.7	M32 E34 L273 Q696 L699 E703	M32-K36 WeakPolarHBondContact O-CG 3.33Å; M32-K36 PolarHBondContact O-N 3.42Å; E34-K36 VanDerWaalsContact C-N 3.25Å; E34-K36 PolarHBondContact O-N 3.46Å; K36-L273 HydrophobicContact CG-CD1 4.18Å; K36-Q696 WeakPolarHBondContact O-CB 3.44Å; K36-Q696 WeakPolarHBondContact O-CG 3.37Å; K36-L699 HydrophobicContact CD-CD2 4.49Å; K36-L699 HydrophobicContact CG-CD2 4.23Å; K36-E703 IonicContact NZ-OE1 3.41Å; K36-E703 PolarHBondContact NZ-OE1 3.37Å; K36-E703 IonicContact NZ-OE2 2.76Å; K36-E703 PolarHBondContact NZ-OE2 3.28Å
37	K	69.8	Low	70.7	Confident	141 Å²	141	81 Å²	81	61%	0.613	39%	0.39	S	S	*	.	S	Bend	trans	-80.6	151.8	174.6	-67.1	178.4	-176	-176.3	0	110.8	E34 L35 R269	E34-K37 WeakPolarHBondContact O-CB 3.2Å; E34-K37 PolarHBondContact O-N 3.38Å; E34-K37 VanDerWaalsContact O-N 3.13Å; L35-K37 VanDerWaalsContact C-N 3.27Å; L35-K37 PolarHBondContact O-N 3.23Å; K37-R269 PolarHBondContact O-NH2 2.84Å
38	E	65.6	Low	73	Confident	63 Å²	63	77.2 Å²	77.2	29%	0.294	38%	0.376	S	S	.	.			trans	-57.9	153	172.2	-66.3	-176.1	157.8	0	0	111.3	D40 K671	E38-D40 PolarHBondContact O-N 2.89Å; E38-K671 WeakPolarHBondContact OE2-CE 3.27Å; E38-K671 IonicContact OE2-NZ 3.95Å; E38-K671 PolarHBondContact OE2-NZ 2.89Å
39	V	67.4	Low	74.8	Confident	21 Å²	21	76.3 Å²	76.3	13%	0.127	38%	0.376	C	S	.	.			trans	-75.8	111	-178.5	-177	0	0	0	0	109	L41 V266	V39-L41 HydrophobicContact CG1-CB 4.5Å; V39-L41 HydrophobicContact CG1-CD1 3.59Å; V39-L41 HydrophobicContact CG1-CG 3.8Å; V39-L41 PolarHBondContact O-N 2.97Å; V39-V266 HydrophobicContact CG1-CG2 4.36Å; V39-V266 HydrophobicContact CG2-CG1 4.39Å; V39-V266 HydrophobicContact CG2-CG2 4.4Å
40	D	67.2	Low	76.7	Confident	140 Å²	140	73.7 Å²	73.7	75%	0.749	37%	0.366	S	S	*	.			trans	-76.8	104.5	162	-107.6	-23.7	0	0	0	108.5	E38	E38-D40 PolarHBondContact O-N 2.89Å
41	L	79.1	Confident	78.6	Confident	6 Å²	6	65.8 Å²	65.8	3%	0.031	33%	0.332	C	S	.	.			trans	-110.5	122.5	166.9	-94.3	149.7	0	0	0	105.4	V39 H44 P236 I259 V266	V39-L41 HydrophobicContact CG1-CB 4.5Å; V39-L41 HydrophobicContact CG1-CD1 3.59Å; V39-L41 HydrophobicContact CG1-CG 3.8Å; V39-L41 PolarHBondContact O-N 2.97Å; L41-H44 PolarHBondContact O-CE1 3.13Å; L41-H44 PolarHBondContact O-ND1 2.93Å; L41-P236 HydrophobicContact CB-CB 3.71Å; L41-P236 HydrophobicContact CB-CG 3.95Å; L41-P236 HydrophobicContact CD1-CB 4.16Å; L41-P236 HydrophobicContact CD1-CG 4.48Å; L41-I259 HydrophobicContact CD2-CD1 3.63Å; L41-I259 HydrophobicContact CD2-CG1 4.46Å; L41-V266 HydrophobicContact CD1-CG2 3.79Å
42	D	83.9	Confident	79.9	Confident	83 Å²	83	65.4 Å²	65.4	44%	0.444	33%	0.327	S	S	.	.			trans	-109.3	-9.1	176.6	-77.4	-41.3	0	0	0	112.8	H44 K45	D42-H44 PolarHBondContact O-N 3.41Å; D42-H44 VanDerWaalsContact O-N 3.07Å; D42-K45 WeakPolarHBondContact O-CB 3.36Å; D42-K45 PolarHBondContact O-N 2.91Å; D42-K45 IonicContact OD1-NZ 3.44Å; D42-K45 PolarHBondContact OD1-NZ 2.86Å
43	D	87.3	Confident	81.1	Confident	15 Å²	15	73 Å²	73	8%	0.08	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-20.2	-178.8	-74.5	-80.5	0	0	0	113.8	L51 K54 Y55 I259	D43-L51 HydrophobicContact CB-CD1 4.35Å; D43-K54 VanDerWaalsContact OD1-CD 3.3Å; D43-K54 WeakPolarHBondContact OD1-CD 3.43Å; D43-K54 WeakPolarHBondContact OD1-CE 3.46Å; D43-K54 IonicContact OD1-NZ 2.66Å; D43-K54 PolarHBondContact OD1-NZ 2.89Å; D43-K54 IonicContact OD2-NZ 2.76Å; D43-K54 PolarHBondContact OD2-NZ 2.87Å; D43-Y55 WeakPolarHBondContact OD1-CE2 3.43Å; D43-Y55 PolarHBondContact OD1-OH 3.19Å; D43-I259 HydrophobicContact CB-CG2 4.08Å
44	H	90.3	Very high	82.3	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-21.1	175	65.9	-53	0	0	0	115	L41 D42 F231 D234 T239 N241 I242	L41-H44 PolarHBondContact O-CE1 3.13Å; L41-H44 PolarHBondContact O-ND1 2.93Å; D42-H44 PolarHBondContact O-N 3.41Å; D42-H44 VanDerWaalsContact O-N 3.07Å; H44-F231 AromaticContact CD2-CD2 3.69Å; H44-F231 AromaticContact CD2-CE2 3.57Å; H44-F231 AromaticContact NE2-CE2 3.8Å; H44-D234 PolarHBondContact CE1-O 3.01Å; H44-D234 PolarHBondContact NE2-O 3.13Å; H44-T239 HydrophobicContact CB-CG2 4.18Å; H44-N241 WeakPolarHBondContact CB-OD1 3.3Å; H44-N241 PolarHBondContact O-ND2 2.88Å; H44-I242 HydrophobicContact CB-CD1 3.58Å; H44-I242 HydrophobicContact CB-CG1 3.87Å
45	K	92.2	Very high	83.4	Confident	92 Å²	92	70.9 Å²	70.9	40%	0.4	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-20	178.2	-61.6	170.9	-175.6	158.4	0	112.3	D42 F231	D42-K45 WeakPolarHBondContact O-CB 3.36Å; D42-K45 PolarHBondContact O-N 2.91Å; D42-K45 IonicContact OD1-NZ 3.44Å; D42-K45 PolarHBondContact OD1-NZ 2.86Å; K45-F231 HydrophobicContact CG-CD2 4.26Å; K45-F231 HydrophobicContact CG-CE2 3.74Å; K45-F231 HydrophobicContact CG-CZ 4.3Å
46	L	92	Very high	84.5	Confident	49 Å²	49	71.9 Å²	71.9	26%	0.257	36%	0.356	S	S	.	.	S	Bend	trans	-70.1	145.5	-179.1	-60.2	-179.6	0	0	0	111.9	E50 K54	L46-E50 HydrophobicContact CB-CB 4.17Å; L46-E50 HydrophobicContact CD2-CB 4.48Å; L46-K54 HydrophobicContact CD1-CD 3.94Å
47	T	92.1	Very high	85.6	Confident	80 Å²	80	69.7 Å²	69.7	49%	0.491	35%	0.347	S	S	.	.			trans	-68.5	160.3	169.2	61.6	0	0	0	0	111	D49 E50 L51	T47-D49 PolarHBondContact O-N 3.5Å; T47-E50 PolarHBondContact N-OE2 3.25Å; T47-E50 PolarHBondContact O-N 2.84Å; T47-E50 VanDerWaalsContact OG1-CG 3.24Å; T47-E50 WeakPolarHBondContact OG1-CG 3.43Å; T47-E50 PolarHBondContact OG1-N 2.96Å; T47-E50 PolarHBondContact OG1-OE2 3.47Å; T47-L51 WeakPolarHBondContact O-CB 3.46Å; T47-L51 PolarHBondContact O-N 3.11Å
48	L	91.5	Very high	86.7	Confident	68 Å²	68	66 Å²	66	36%	0.356	33%	0.334	S	S	.	.	H	α-helix	trans	-60.3	-34.3	179.9	-65.3	176.6	0	0	0	112.6	H52 L59 I206	L48-H52 VanDerWaalsContact O-CB 3.25Å; L48-H52 WeakPolarHBondContact O-CB 3.47Å; L48-H52 PolarHBondContact O-N 3Å; L48-L59 HydrophobicContact CB-CD1 4.12Å; L48-I206 HydrophobicContact CD2-CB 3.93Å; L48-I206 HydrophobicContact CD2-CG2 3.58Å
49	D	89.3	Confident	87.8	Confident	114 Å²	114	65.4 Å²	65.4	61%	0.61	33%	0.333	S	S	*	.	H	α-helix	trans	-69.9	-38.9	177.1	-77.6	-10	0	0	0	112.4	T47 R53	T47-D49 PolarHBondContact O-N 3.5Å; D49-R53 WeakPolarHBondContact O-CB 3.43Å; D49-R53 PolarHBondContact O-N 3.17Å
50	E	91.9	Very high	88.9	Confident	93 Å²	93	68.2 Å²	68.2	44%	0.435	35%	0.353	S	S	.	.	H	α-helix	trans	-68.4	-41	175.1	-72.1	166.2	150.6	0	0	111.2	L46 T47 R53 K54	L46-E50 HydrophobicContact CB-CB 4.17Å; L46-E50 HydrophobicContact CD2-CB 4.48Å; T47-E50 PolarHBondContact N-OE2 3.25Å; T47-E50 PolarHBondContact O-N 2.84Å; T47-E50 VanDerWaalsContact OG1-CG 3.24Å; T47-E50 WeakPolarHBondContact OG1-CG 3.43Å; T47-E50 PolarHBondContact OG1-N 2.96Å; T47-E50 PolarHBondContact OG1-OE2 3.47Å; E50-R53 PolarHBondContact O-N 3.19Å; E50-K54 WeakPolarHBondContact O-CB 3.49Å; E50-K54 PolarHBondContact O-N 3.21Å
51	L	90.4	Very high	90	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-45.6	176.4	-165.8	78.3	0	0	0	111.2	D43 T47 R53 K54 Y55 R204 I206 I257	D43-L51 HydrophobicContact CB-CD1 4.35Å; T47-L51 WeakPolarHBondContact O-CB 3.46Å; T47-L51 PolarHBondContact O-N 3.11Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 2.79Å; L51-K54 PolarHBondContact O-N 2.85Å; L51-Y55 HydrophobicContact CD1-CD2 4.02Å; L51-Y55 HydrophobicContact CD1-CE2 3.74Å; L51-Y55 HydrophobicContact CG-CD2 4.2Å; L51-Y55 HydrophobicContact CG-CE2 4.41Å; L51-Y55 WeakPolarHBondContact O-CD2 3.3Å; L51-Y55 PolarHBondContact O-N 3.33Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; L51-R204 HydrophobicContact CD1-CG 4.14Å; L51-R204 HydrophobicContact CD2-CB 4.07Å; L51-R204 HydrophobicContact CD2-CG 3.46Å; L51-R204 VanDerWaalsContact CD2-CG 3.46Å; L51-R204 HydrophobicContact CG-CG 4.46Å; L51-I206 HydrophobicContact CD2-CG2 4.32Å; L51-I257 HydrophobicContact CD2-CB 4.35Å; L51-I257 HydrophobicContact CD2-CD1 3.8Å; L51-I257 HydrophobicContact CG-CD1 4.33Å
52	H	89.1	Confident	90.6	Very high	77 Å²	77	69 Å²	69	36%	0.356	35%	0.348	S	S	.	.	H	α-helix	trans	-53.9	-47	172	167.9	71	0	0	0	111.2	L48 G56 T57 L59	L48-H52 VanDerWaalsContact O-CB 3.25Å; L48-H52 WeakPolarHBondContact O-CB 3.47Å; L48-H52 PolarHBondContact O-N 3Å; H52-G56 VanDerWaalsContact O-CA 3.27Å; H52-G56 WeakPolarHBondContact O-CA 3.37Å; H52-G56 PolarHBondContact O-N 2.72Å; H52-T57 PolarHBondContact CE1-O 3.21Å; H52-T57 PolarHBondContact ND1-O 3.27Å; H52-T57 PolarHBondContact O-N 2.97Å; H52-L59 HydrophobicContact CB-CD1 4.45Å; H52-L59 HydrophobicContact CB-CG 4.37Å
53	R	90.9	Very high	91.1	Very high	200 Å²	200	65.3 Å²	65.3	76%	0.755	33%	0.328	S	S	*	.	H	α-helix	trans	-69.5	-38.6	-179.7	-167.9	-179.6	-63.2	160.7	3.9	112.9	D49 E50 L51	D49-R53 WeakPolarHBondContact O-CB 3.43Å; D49-R53 PolarHBondContact O-N 3.17Å; E50-R53 PolarHBondContact O-N 3.19Å; L51-R53 VanDerWaalsContact C-N 3.3Å; L51-R53 PolarHBondContact O-N 2.79Å
54	K	92.7	Very high	91.4	Very high	121 Å²	121	66.6 Å²	66.6	53%	0.526	34%	0.338	S	S	.	.	H	α-helix	trans	-64.6	-45.2	-179.4	-176.2	177.6	178.1	-177.3	0	111.6	D43 L46 E50 L51	D43-K54 VanDerWaalsContact OD1-CD 3.3Å; D43-K54 WeakPolarHBondContact OD1-CD 3.43Å; D43-K54 WeakPolarHBondContact OD1-CE 3.46Å; D43-K54 IonicContact OD1-NZ 2.66Å; D43-K54 PolarHBondContact OD1-NZ 2.89Å; D43-K54 IonicContact OD2-NZ 2.76Å; D43-K54 PolarHBondContact OD2-NZ 2.87Å; L46-K54 HydrophobicContact CD1-CD 3.94Å; E50-K54 WeakPolarHBondContact O-CB 3.49Å; E50-K54 PolarHBondContact O-N 3.21Å; L51-K54 PolarHBondContact O-N 2.85Å
55	Y	91.9	Very high	91.4	Very high	42 Å²	42	68.6 Å²	68.6	17%	0.165	36%	0.355	C	S	.	.	H	α-helix	trans	-94.6	-12.2	-177.6	-67.8	-78	0	0	0	113.8	D43 L51 T57 A187 I257 I259	D43-Y55 WeakPolarHBondContact OD1-CE2 3.43Å; D43-Y55 PolarHBondContact OD1-OH 3.19Å; L51-Y55 HydrophobicContact CD1-CD2 4.02Å; L51-Y55 HydrophobicContact CD1-CE2 3.74Å; L51-Y55 HydrophobicContact CG-CD2 4.2Å; L51-Y55 HydrophobicContact CG-CE2 4.41Å; L51-Y55 WeakPolarHBondContact O-CD2 3.3Å; L51-Y55 PolarHBondContact O-N 3.33Å; L51-Y55 VanDerWaalsContact O-N 3.12Å; Y55-T57 VanDerWaalsContact C-N 3.31Å; Y55-T57 PolarHBondContact O-N 3.13Å; Y55-A187 HydrophobicContact CE1-CB 4.47Å; Y55-I257 HydrophobicContact CD2-CG2 4.37Å; Y55-I257 HydrophobicContact CG-CG2 4.47Å; Y55-I259 HydrophobicContact CE2-CG2 4.08Å; Y55-I259 PolarHBondContact OH-O 2.99Å
56	G	90.8	Very high	91.4	Very high	57 Å²	57	68 Å²	68	59%	0.588	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	36.7	-179	0	0	0	0	0	112.8	H52	H52-G56 VanDerWaalsContact O-CA 3.27Å; H52-G56 WeakPolarHBondContact O-CA 3.37Å; H52-G56 PolarHBondContact O-N 2.72Å
57	T	91.6	Very high	91.4	Very high	1 Å²	1	71.2 Å²	71.2	1%	0.006	37%	0.371	C	S	.	.			trans	-120.1	133.8	-172.2	-161	0	0	0	0	111.9	H52 Y55 L63 G188 I257	H52-T57 PolarHBondContact CE1-O 3.21Å; H52-T57 PolarHBondContact ND1-O 3.27Å; H52-T57 PolarHBondContact O-N 2.97Å; Y55-T57 VanDerWaalsContact C-N 3.31Å; Y55-T57 PolarHBondContact O-N 3.13Å; T57-L63 WeakPolarHBondContact OG1-CD2 3.46Å; T57-L63 WeakPolarHBondContact OG1-CG 3.45Å; T57-G188 WeakPolarHBondContact CB-O 3.39Å; T57-G188 VanDerWaalsContact CG2-O 3.28Å; T57-G188 WeakPolarHBondContact CG2-O 3.26Å; T57-G188 PolarHBondContact OG1-O 3.12Å; T57-I257 HydrophobicContact CG2-CD1 3.52Å; T57-I257 HydrophobicContact CG2-CG1 3.91Å; T57-I257 HydrophobicContact CG2-CG2 4.06Å
58	D	92.9	Very high	91.4	Very high	63 Å²	63	67.4 Å²	67.4	34%	0.337	35%	0.348	S	S	.	.	B	Isolated β-bridge	trans	-72.6	129.7	178.6	-171.2	-64.8	0	0	0	110.9	S60 R61 G62	D58-S60 PolarHBondContact O-N 3.35Å; D58-S60 VanDerWaalsContact O-N 3.15Å; D58-S60 WeakPolarHBondContact OD1-CA 3.47Å; D58-S60 WeakPolarHBondContact OD1-CB 3.18Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 PolarHBondContact OD1-OG 3.28Å; D58-R61 HydrophobicContact CB-CB 4.05Å; D58-R61 PolarHBondContact OD1-N 3.35Å; D58-G62 VanDerWaalsContact O-CA 3.26Å; D58-G62 WeakPolarHBondContact O-CA 3.17Å; D58-G62 PolarHBondContact O-N 3.21Å
59	L	90.4	Very high	91.5	Very high	52 Å²	52	71.4 Å²	71.4	27%	0.272	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-17.5	-177.1	-66.9	168.7	0	0	0	113.7	L48 H52 L190 I206 I257	L48-L59 HydrophobicContact CB-CD1 4.12Å; H52-L59 HydrophobicContact CB-CD1 4.45Å; H52-L59 HydrophobicContact CB-CG 4.37Å; L59-L190 WeakPolarHBondContact O-CD2 3.47Å; L59-I206 HydrophobicContact CB-CD1 4.34Å; L59-I206 HydrophobicContact CD2-CD1 3.91Å; L59-I206 HydrophobicContact CD2-CG2 4.19Å; L59-I206 WeakPolarHBondContact O-CD1 3.28Å; L59-I257 HydrophobicContact CD2-CD1 3.54Å
60	S	89.6	Confident	91.7	Very high	80 Å²	80	70.6 Å²	70.6	56%	0.559	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-40.5	-179.1	69.3	0	0	0	0	113.2	D58	D58-S60 PolarHBondContact O-N 3.35Å; D58-S60 VanDerWaalsContact O-N 3.15Å; D58-S60 WeakPolarHBondContact OD1-CA 3.47Å; D58-S60 WeakPolarHBondContact OD1-CB 3.18Å; D58-S60 PolarHBondContact OD1-N 3.43Å; D58-S60 PolarHBondContact OD1-OG 3.28Å
61	R	89.8	Confident	91.9	Very high	152 Å²	152	66.5 Å²	66.5	57%	0.574	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-14.2	-176.2	-54.5	-174.6	80.7	176.1	3.9	113.5	D58 D174 G175	D58-R61 HydrophobicContact CB-CB 4.05Å; D58-R61 PolarHBondContact OD1-N 3.35Å; R61-D174 PolarHBondContact O-N 3.3Å; R61-G175 PolarHBondContact O-N 3.26Å
62	G	92.7	Very high	92	Very high	9 Å²	9	68.6 Å²	68.6	9%	0.093	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	68.4	-160.9	-174.6	0	0	0	0	0	113.4	D58 V172	D58-G62 VanDerWaalsContact O-CA 3.26Å; D58-G62 WeakPolarHBondContact O-CA 3.17Å; D58-G62 PolarHBondContact O-N 3.21Å; G62-V172 WeakPolarHBondContact CA-O 3.38Å
63	L	93.6	Very high	92.2	Very high	6 Å²	6	69.2 Å²	69.2	3%	0.031	37%	0.369	C	S	.	.	B	Isolated β-bridge	trans	-76.9	158.7	176.4	-70.9	177.2	0	0	0	111.8	T57 R67 I71 R173 D174 V186 G188	T57-L63 WeakPolarHBondContact OG1-CD2 3.46Å; T57-L63 WeakPolarHBondContact OG1-CG 3.45Å; L63-R67 HydrophobicContact CD2-CG 4.17Å; L63-I71 HydrophobicContact CD1-CD1 3.95Å; L63-R173 CarbonylContact O-C 3.24Å; L63-R173 WeakPolarHBondContact O-CA 3.44Å; L63-R173 WeakPolarHBondContact O-CB 3.4Å; L63-D174 PolarHBondContact O-N 3.07Å; L63-V186 HydrophobicContact CD1-CG2 4.03Å; L63-G188 WeakPolarHBondContact CG-O 3.35Å
64	S	93.3	Very high	92.2	Very high	42 Å²	42	67.2 Å²	67.2	29%	0.294	36%	0.361	S	S	.	.			trans	-76.5	149	166.1	69.2	0	0	0	0	111.5	S66 R67 A68 D174	S64-S66 PolarHBondContact O-N 3.49Å; S64-S66 PolarHBondContact OG-OG 2.89Å; S64-R67 PolarHBondContact O-N 3.41Å; S64-R67 VanDerWaalsContact O-N 3.12Å; S64-R67 VanDerWaalsContact OG-CB 3.24Å; S64-R67 WeakPolarHBondContact OG-CB 3.26Å; S64-R67 PolarHBondContact OG-N 3.39Å; S64-A68 PolarHBondContact O-N 3.25Å; S64-D174 VanDerWaalsContact CA-OD1 3.22Å; S64-D174 WeakPolarHBondContact CA-OD1 3.42Å; S64-D174 WeakPolarHBondContact CB-OD1 3.21Å
65	A	90.7	Very high	92.1	Very high	43 Å²	43	63.4 Å²	63.4	36%	0.355	35%	0.347	S	S	.	.	H	α-helix	trans	-59.7	-31.2	178.9	0	0	0	0	0	113.5	K69 D174	A65-K69 PolarHBondContact O-N 3.21Å; A65-D174 VanDerWaalsContact CB-OD2 3.31Å; A65-D174 WeakPolarHBondContact CB-OD2 3.47Å; A65-D174 PolarHBondContact N-OD2 3.04Å
66	S	91.8	Very high	92.1	Very high	78 Å²	78	62.6 Å²	62.6	55%	0.545	35%	0.351	S	S	.	.	H	α-helix	trans	-68.8	-46.1	174.2	54.6	0	0	0	0	111.6	S64 A68 K69 D70	S64-S66 PolarHBondContact O-N 3.49Å; S64-S66 PolarHBondContact OG-OG 2.89Å; S66-A68 VanDerWaalsContact C-N 3.32Å; S66-A68 PolarHBondContact O-N 3.04Å; S66-K69 PolarHBondContact O-N 2.83Å; S66-D70 PolarHBondContact O-N 2.83Å
67	R	92.8	Very high	92.2	Very high	117 Å²	117	63.6 Å²	63.6	44%	0.442	35%	0.347	S	S	.	.	H	α-helix	trans	-63.9	-39.5	179.5	-176	55.9	174.2	176.7	-0.1	111.8	L63 S64 K69 D70 I71	L63-R67 HydrophobicContact CD2-CG 4.17Å; S64-R67 PolarHBondContact O-N 3.41Å; S64-R67 VanDerWaalsContact O-N 3.12Å; S64-R67 VanDerWaalsContact OG-CB 3.24Å; S64-R67 WeakPolarHBondContact OG-CB 3.26Å; S64-R67 PolarHBondContact OG-N 3.39Å; R67-K69 VanDerWaalsContact C-N 3.33Å; R67-K69 PolarHBondContact O-N 3.22Å; R67-D70 PolarHBondContact O-N 3.39Å; R67-I71 HydrophobicContact CG-CD1 4.02Å; R67-I71 WeakPolarHBondContact O-CG1 3.45Å; R67-I71 PolarHBondContact O-N 3.41Å
68	A	92.7	Very high	92.1	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.008	35%	0.349	C	S	.	.	H	α-helix	trans	-61.1	-41.4	176.2	0	0	0	0	0	112	S64 S66 I71 L72 R173 V186	S64-A68 PolarHBondContact O-N 3.25Å; S66-A68 VanDerWaalsContact C-N 3.32Å; S66-A68 PolarHBondContact O-N 3.04Å; A68-I71 PolarHBondContact O-N 2.9Å; A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 PolarHBondContact O-N 2.88Å; A68-R173 VanDerWaalsContact CB-CZ 3.5Å; A68-V186 HydrophobicContact CB-CG2 4.01Å
69	K	93.4	Very high	91.7	Very high	152 Å²	152	62.4 Å²	62.4	66%	0.661	35%	0.345	S	S	*	.	H	α-helix	trans	-64.2	-40.2	174.4	-76	-176.9	178.5	-176.5	0	112.8	A65 S66 R67 I71 L72 A73	A65-K69 PolarHBondContact O-N 3.21Å; S66-K69 PolarHBondContact O-N 2.83Å; R67-K69 VanDerWaalsContact C-N 3.33Å; R67-K69 PolarHBondContact O-N 3.22Å; K69-I71 VanDerWaalsContact C-N 3.33Å; K69-I71 PolarHBondContact O-N 3.37Å; K69-L72 PolarHBondContact O-N 2.81Å; K69-A73 PolarHBondContact O-N 3.44Å
70	D	93.9	Very high	91.2	Very high	97 Å²	97	63.1 Å²	63.1	52%	0.519	35%	0.349	S	S	.	.	H	α-helix	trans	-62.6	-41.7	176.9	-66.1	-20	0	0	0	111.4	S66 R67 R74	S66-D70 PolarHBondContact O-N 2.83Å; R67-D70 PolarHBondContact O-N 3.39Å; D70-R74 WeakPolarHBondContact O-CB 3.47Å; D70-R74 PolarHBondContact O-N 2.89Å; D70-R74 VanDerWaalsContact O-N 3.08Å
71	I	94.3	Very high	90.7	Very high	7 Å²	7	64 Å²	64	4%	0.036	35%	0.351	C	S	.	.	H	α-helix	trans	-69.3	-40.9	177.9	-62	167.9	0	0	0	110.4	L63 R67 A68 K69 A73 R74 D75 V186	L63-I71 HydrophobicContact CD1-CD1 3.95Å; R67-I71 HydrophobicContact CG-CD1 4.02Å; R67-I71 WeakPolarHBondContact O-CG1 3.45Å; R67-I71 PolarHBondContact O-N 3.41Å; A68-I71 PolarHBondContact O-N 2.9Å; K69-I71 VanDerWaalsContact C-N 3.33Å; K69-I71 PolarHBondContact O-N 3.37Å; I71-A73 VanDerWaalsContact C-N 3.31Å; I71-A73 PolarHBondContact O-N 2.67Å; I71-R74 PolarHBondContact O-N 3.34Å; I71-R74 VanDerWaalsContact O-N 3.09Å; I71-D75 HydrophobicContact CG2-CB 4.47Å; I71-D75 VanDerWaalsContact CG2-OD2 3.3Å; I71-D75 WeakPolarHBondContact CG2-OD2 3.35Å; I71-D75 WeakPolarHBondContact O-CB 3.32Å; I71-D75 PolarHBondContact O-N 2.87Å; I71-V186 HydrophobicContact CB-CB 4.1Å; I71-V186 HydrophobicContact CB-CG1 4.36Å; I71-V186 HydrophobicContact CB-CG2 4.16Å; I71-V186 HydrophobicContact CD1-CG2 4.48Å; I71-V186 HydrophobicContact CG2-CB 3.71Å; I71-V186 HydrophobicContact CG2-CG1 4.2Å; I71-V186 HydrophobicContact CG2-CG2 4.2Å
72	L	93.4	Very high	89.8	Confident	43 Å²	43	61.7 Å²	61.7	23%	0.225	36%	0.355	C	S	.	.	H	α-helix	trans	-59.2	-43.5	176.7	-173.2	66.1	0	0	0	111.4	A68 K69 R74 G76 V186	A68-L72 WeakPolarHBondContact O-CB 3.47Å; A68-L72 PolarHBondContact O-N 2.88Å; K69-L72 PolarHBondContact O-N 2.81Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.94Å; L72-G76 CarbonylContact O-C 3.51Å; L72-G76 WeakPolarHBondContact O-CA 3.28Å; L72-G76 PolarHBondContact O-N 2.93Å; L72-V186 HydrophobicContact CB-CG1 3.71Å; L72-V186 HydrophobicContact CD1-CG1 3.91Å; L72-V186 HydrophobicContact CG-CG1 4.42Å
73	A	92.8	Very high	88.6	Confident	91 Å²	91	64.7 Å²	64.7	75%	0.752	37%	0.373	S	S	*	.	H	α-helix	trans	-68	-30.2	176.3	0	0	0	0	0	113	K69 I71	K69-A73 PolarHBondContact O-N 3.44Å; I71-A73 VanDerWaalsContact C-N 3.31Å; I71-A73 PolarHBondContact O-N 2.67Å
74	R	92.3	Very high	87.5	Confident	158 Å²	158	70.7 Å²	70.7	60%	0.596	41%	0.413	S	S	*	.	H	α-helix	trans	-78.4	-46.9	178.9	-173.9	-167.6	70.7	-175.4	-2.1	112.6	D70 I71 L72	D70-R74 WeakPolarHBondContact O-CB 3.47Å; D70-R74 PolarHBondContact O-N 2.89Å; D70-R74 VanDerWaalsContact O-N 3.08Å; I71-R74 PolarHBondContact O-N 3.34Å; I71-R74 VanDerWaalsContact O-N 3.09Å; L72-R74 VanDerWaalsContact C-N 3.32Å; L72-R74 PolarHBondContact O-N 2.94Å
75	D	90.6	Very high	86.5	Confident	41 Å²	41	74.7 Å²	74.7	22%	0.219	44%	0.436	C	S	.	.	H	α-helix	trans	-101.2	-13.5	-166.6	-68.3	-9.7	0	0	0	113.8	I71 R264	I71-D75 HydrophobicContact CG2-CB 4.47Å; I71-D75 VanDerWaalsContact CG2-OD2 3.3Å; I71-D75 WeakPolarHBondContact CG2-OD2 3.35Å; I71-D75 WeakPolarHBondContact O-CB 3.32Å; I71-D75 PolarHBondContact O-N 2.87Å; D75-R264 PolarHBondContact O-NH1 2.78Å; D75-R264 PolarHBondContact O-NH2 3.15Å; D75-R264 VanDerWaalsContact O-NH2 3.15Å
76	G	91.9	Very high	85.8	Confident	25 Å²	25	76 Å²	76	26%	0.258	44%	0.439	S	S	.	.			trans	84.1	173.3	-173.1	0	0	0	0	0	113.4	L72	L72-G76 CarbonylContact O-C 3.51Å; L72-G76 WeakPolarHBondContact O-CA 3.28Å; L72-G76 PolarHBondContact O-N 2.93Å
77	P	91.5	Very high	85.6	Confident	77 Å²	77	75.3 Å²	75.3	50%	0.5	43%	0.433	S	S	.	.			trans	-65.4	152.5	177.1	28.5	-34.5	0	0	0	112	A79 E183	P77-A79 PolarHBondContact O-N 2.87Å; P77-E183 CarbonylContact C-O 3.57Å; P77-E183 WeakPolarHBondContact CA-O 3.47Å; P77-E183 HydrophobicContact CB-CB 4.34Å
78	N	90.7	Very high	85.3	Confident	8 Å²	8	73.7 Å²	73.7	4%	0.043	43%	0.43	C	S	.	.	S	Bend	trans	-78.1	68.2	170.8	177.3	48.4	0	0	0	110.7	A182 E183 V185 P200 T261 G262	N78-A182 WeakPolarHBondContact CB-O 3.39Å; N78-A182 PolarHBondContact ND2-O 3.43Å; N78-E183 PolarHBondContact N-O 2.95Å; N78-V185 HydrophobicContact CB-CB 4.31Å; N78-V185 VanDerWaalsContact CB-O 3.22Å; N78-V185 WeakPolarHBondContact CB-O 3.34Å; N78-P200 PolarHBondContact ND2-O 3.41Å; N78-T261 HydrophobicContact CB-CG2 4.23Å; N78-T261 WeakPolarHBondContact OD1-CA 3.4Å; N78-T261 WeakPolarHBondContact OD1-CB 3.47Å; N78-G262 PolarHBondContact OD1-N 2.88Å
79	A	84.6	Confident	85.1	Confident	32 Å²	32	82.3 Å²	82.3	26%	0.264	46%	0.463	S	S	.	.	S	Bend	trans	-136.1	155.1	175.6	0	0	0	0	0	109.3	P77 E183 G262	P77-A79 PolarHBondContact O-N 2.87Å; A79-E183 HydrophobicContact CB-CG 4.31Å; A79-G262 WeakPolarHBondContact O-CA 3.42Å
80	L	80.1	Confident	84.9	Confident	67 Å²	67	77.2 Å²	77.2	35%	0.351	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-75.9	130.5	171.8	-62.1	-177.6	0	0	0	109.4	P82 F245 D263 G268 A271	L80-P82 WeakPolarHBondContact O-CD 3.4Å; L80-F245 HydrophobicContact CD1-CE1 4.27Å; L80-F245 HydrophobicContact CD2-CE1 4.17Å; L80-F245 HydrophobicContact CG-CE1 4.18Å; L80-D263 WeakPolarHBondContact CA-OD1 3.47Å; L80-G268 VanDerWaalsContact CD2-CA 3.44Å; L80-A271 HydrophobicContact CD1-CB 4.1Å
81	T	77.9	Confident	84.4	Confident	97 Å²	97	74.5 Å²	74.5	60%	0.595	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-69.5	121.4	177.1	-53.4	0	0	0	0	108.5	D263	T81-D263 WeakPolarHBondContact CB-OD2 3.47Å; T81-D263 PolarHBondContact N-OD1 3.42Å; T81-D263 PolarHBondContact OG1-OD2 3.05Å
82	P	70.8	Confident	84.1	Confident	104 Å²	104	76.9 Å²	76.9	68%	0.675	44%	0.438	S	S	*	.	P	Polyproline II helix	trans	-61.6	140.1	177.2	23.8	-31.5	0	0	0	109.8	L80	L80-P82 WeakPolarHBondContact O-CD 3.4Å
83	P	67.8	Low	83.9	Confident	72 Å²	72	77 Å²	77	47%	0.468	44%	0.442	S	S	.	.	P	Polyproline II helix	trans	-62.5	149.3	179.9	26	-33.9	0	0	0	110.5	T85	P83-T85 PolarHBondContact O-N 3.06Å
84	P	70.8	Confident	83.5	Confident	133 Å²	133	79.3 Å²	79.3	86%	0.864	44%	0.435	S	S	*	.			trans	-61.2	110.9	178.5	25.1	-32.9	0	0	0	109.6	T86	P84-T86 PolarHBondContact O-N 2.91Å
85	T	72	Confident	83.1	Confident	126 Å²	126	74.9 Å²	74.9	77%	0.773	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-72.3	128.1	178.7	54.1	0	0	0	0	109.6	P83 P87	P83-T85 PolarHBondContact O-N 3.06Å; T85-P87 WeakPolarHBondContact O-CD 3.31Å
86	T	76.6	Confident	82.9	Confident	70 Å²	70	73.7 Å²	73.7	43%	0.429	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-63.3	123	168.4	50.6	0	0	0	0	108.8	P84 K91	P84-T86 PolarHBondContact O-N 2.91Å; T86-K91 WeakPolarHBondContact OG1-CE 3.35Å
87	P	87.3	Confident	82.6	Confident	63 Å²	63	77.9 Å²	77.9	41%	0.409	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-57.8	143	179.1	-25.5	34.6	0	0	0	112	T85 W89 V90 K91	T85-P87 WeakPolarHBondContact O-CD 3.31Å; P87-W89 VanDerWaalsContact C-N 3.27Å; P87-W89 HydrophobicContact CB-CG 4.39Å; P87-W89 PolarHBondContact O-N 2.79Å; P87-V90 HydrophobicContact CB-CG2 4.16Å; P87-V90 HydrophobicContact CG-CG2 4.3Å; P87-V90 WeakPolarHBondContact O-CB 3.36Å; P87-V90 PolarHBondContact O-N 2.62Å; P87-K91 PolarHBondContact O-N 2.8Å
88	E	85.7	Confident	81.7	Confident	83 Å²	83	75.8 Å²	75.8	39%	0.388	42%	0.418	S	S	.	.	H	α-helix	trans	-58.2	-36.6	-175.8	-71.5	-57.5	133.4	0	0	113.2	V90 K91 F92 Y148	E88-V90 VanDerWaalsContact C-N 3.29Å; E88-V90 PolarHBondContact O-N 2.63Å; E88-K91 PolarHBondContact O-N 3.46Å; E88-K91 IonicContact OE1-NZ 3.17Å; E88-K91 PolarHBondContact OE1-NZ 2.89Å; E88-F92 PolarHBondContact O-N 2.92Å; E88-Y148 WeakPolarHBondContact CB-OH 3.19Å; E88-Y148 WeakPolarHBondContact OE2-CE2 3.2Å; E88-Y148 VanDerWaalsContact OE2-CZ 3.3Å; E88-Y148 PolarHBondContact OE2-OH 3.07Å
89	W	88.1	Confident	81	Confident	182 Å²	182	77.2 Å²	77.2	69%	0.689	44%	0.435	S	S	*	.	H	α-helix	trans	-64.5	-31.8	175.6	69.3	-83.6	0	0	0	113.1	P87 C93	P87-W89 VanDerWaalsContact C-N 3.27Å; P87-W89 HydrophobicContact CB-CG 4.39Å; P87-W89 PolarHBondContact O-N 2.79Å; W89-C93 PolarHBondContact O-N 3.23Å; W89-C93 PolarHBondContact O-SG 2.8Å
90	V	89.6	Confident	80.3	Confident	45 Å²	45	76.1 Å²	76.1	27%	0.273	42%	0.424	S	S	.	.	H	α-helix	trans	-70.4	-41.4	175.8	177.8	0	0	0	0	110.3	P87 E88 F92 C93 K94	P87-V90 HydrophobicContact CB-CG2 4.16Å; P87-V90 HydrophobicContact CG-CG2 4.3Å; P87-V90 WeakPolarHBondContact O-CB 3.36Å; P87-V90 PolarHBondContact O-N 2.62Å; E88-V90 VanDerWaalsContact C-N 3.29Å; E88-V90 PolarHBondContact O-N 2.63Å; V90-F92 VanDerWaalsContact C-N 3.34Å; V90-C93 PolarHBondContact O-N 3.01Å; V90-K94 WeakPolarHBondContact O-CG 3.26Å; V90-K94 PolarHBondContact O-N 3.1Å
91	K	83.2	Confident	80.4	Confident	40 Å²	40	73.1 Å²	73.1	17%	0.174	41%	0.409	C	S	.	.	H	α-helix	trans	-60.4	-46.5	174.5	-62.6	-177.8	-172.6	167.7	0	110.7	T86 P87 E88 C93 K94 Q95 Y148	T86-K91 WeakPolarHBondContact OG1-CE 3.35Å; P87-K91 PolarHBondContact O-N 2.8Å; E88-K91 PolarHBondContact O-N 3.46Å; E88-K91 IonicContact OE1-NZ 3.17Å; E88-K91 PolarHBondContact OE1-NZ 2.89Å; K91-C93 PolarHBondContact O-N 2.9Å; K91-K94 WeakPolarHBondContact O-CB 3.49Å; K91-K94 PolarHBondContact O-N 2.91Å; K91-Q95 PolarHBondContact O-N 3.35Å; K91-Y148 HydrophobicContact CB-CD2 4.35Å; K91-Y148 HydrophobicContact CB-CE2 4.21Å
92	F	87.8	Confident	80.7	Confident	57 Å²	57	72.5 Å²	72.5	25%	0.25	40%	0.4	C	S	.	.	H	α-helix	trans	-57.7	-49	176.2	179.2	-109.7	0	0	0	112.4	E88 V90 K94 Q95 L96 C145 Y148	E88-F92 PolarHBondContact O-N 2.92Å; V90-F92 VanDerWaalsContact C-N 3.34Å; F92-K94 VanDerWaalsContact C-N 3.31Å; F92-K94 PolarHBondContact O-N 2.97Å; F92-Q95 PolarHBondContact O-N 3.11Å; F92-Q95 VanDerWaalsContact O-N 3.14Å; F92-L96 HydrophobicContact CD1-CD1 4.03Å; F92-L96 HydrophobicContact CE1-CD1 3.5Å; F92-L96 HydrophobicContact CE1-CG 4.31Å; F92-L96 HydrophobicContact CZ-CD1 3.84Å; F92-L96 HydrophobicContact CZ-CD2 4.39Å; F92-L96 HydrophobicContact CZ-CG 4.27Å; F92-L96 PolarHBondContact O-N 3.37Å; F92-C145 HydrophobicContact CE2-CB 4.43Å; F92-Y148 HydrophobicContact CB-CD2 4.03Å; F92-Y148 HydrophobicContact CB-CE2 4.36Å; F92-Y148 HydrophobicContact CB-CG 4.2Å; F92-Y148 AromaticContact CD2-CD1 3.99Å; F92-Y148 HydrophobicContact CD2-CD1 3.99Å; F92-Y148 HydrophobicContact CD2-CD2 4.47Å; F92-Y148 AromaticContact CD2-CG 3.81Å; F92-Y148 HydrophobicContact CD2-CG 3.81Å; F92-Y148 HydrophobicContact CG-CG 4.5Å
93	C	89.5	Confident	81	Confident	45 Å²	45	68.4 Å²	68.4	30%	0.304	37%	0.373	S	S	.	.	H	α-helix	trans	-62.3	-35.6	177.5	-70.4	0	0	0	0	113	W89 V90 K91 Q95 L96 F97	W89-C93 PolarHBondContact O-N 3.23Å; W89-C93 PolarHBondContact O-SG 2.8Å; V90-C93 PolarHBondContact O-N 3.01Å; K91-C93 PolarHBondContact O-N 2.9Å; C93-Q95 VanDerWaalsContact C-N 3.26Å; C93-Q95 PolarHBondContact O-N 2.97Å; C93-L96 PolarHBondContact O-N 3.02Å; C93-L96 VanDerWaalsContact O-N 3.15Å; C93-F97 WeakPolarHBondContact O-CD2 3.48Å; C93-F97 PolarHBondContact O-N 3.4Å
94	K	85.1	Confident	81.7	Confident	141 Å²	141	65.5 Å²	65.5	61%	0.613	35%	0.353	S	S	*	.	H	α-helix	trans	-59.7	-37.8	175.6	-78.4	-178.4	176	-174.3	0	112.2	V90 K91 F92 L96 F97 G98	V90-K94 WeakPolarHBondContact O-CG 3.26Å; V90-K94 PolarHBondContact O-N 3.1Å; K91-K94 WeakPolarHBondContact O-CB 3.49Å; K91-K94 PolarHBondContact O-N 2.91Å; F92-K94 VanDerWaalsContact C-N 3.31Å; F92-K94 PolarHBondContact O-N 2.97Å; K94-L96 VanDerWaalsContact C-N 3.35Å; K94-F97 PolarHBondContact O-N 2.92Å; K94-G98 PolarHBondContact O-N 3.01Å
95	Q	82.8	Confident	82.6	Confident	64 Å²	64	61.7 Å²	61.7	30%	0.299	32%	0.321	S	S	.	.	H	α-helix	trans	-68.2	-34.2	176.8	-59.4	-60.3	-14.2	0	0	112.1	K91 F92 C93 F97 E151	K91-Q95 PolarHBondContact O-N 3.35Å; F92-Q95 PolarHBondContact O-N 3.11Å; F92-Q95 VanDerWaalsContact O-N 3.14Å; C93-Q95 VanDerWaalsContact C-N 3.26Å; C93-Q95 PolarHBondContact O-N 2.97Å; Q95-F97 PolarHBondContact O-N 2.96Å; Q95-E151 PolarHBondContact NE2-OE2 3.38Å
96	L	86.6	Confident	83.1	Confident	17 Å²	17	59.7 Å²	59.7	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-72.3	-23.1	178.8	-69.3	175.5	0	0	0	114.7	F92 C93 K94 S101 W105 V140	F92-L96 HydrophobicContact CD1-CD1 4.03Å; F92-L96 HydrophobicContact CE1-CD1 3.5Å; F92-L96 HydrophobicContact CE1-CG 4.31Å; F92-L96 HydrophobicContact CZ-CD1 3.84Å; F92-L96 HydrophobicContact CZ-CD2 4.39Å; F92-L96 HydrophobicContact CZ-CG 4.27Å; F92-L96 PolarHBondContact O-N 3.37Å; C93-L96 PolarHBondContact O-N 3.02Å; C93-L96 VanDerWaalsContact O-N 3.15Å; K94-L96 VanDerWaalsContact C-N 3.35Å; L96-S101 WeakPolarHBondContact O-CB 3.23Å; L96-W105 PolarHBondContact O-NE1 2.98Å; L96-V140 HydrophobicContact CD2-CG1 4.23Å; L96-V140 WeakPolarHBondContact CD2-O 3.27Å
97	F	85.5	Confident	83.3	Confident	113 Å²	113	56.6 Å²	56.6	50%	0.496	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	17.7	-176.6	-61.1	-68.9	0	0	0	112.9	C93 K94 Q95 M102 W105	C93-F97 WeakPolarHBondContact O-CD2 3.48Å; C93-F97 PolarHBondContact O-N 3.4Å; K94-F97 PolarHBondContact O-N 2.92Å; Q95-F97 PolarHBondContact O-N 2.96Å; F97-M102 HydrophobicContact CB-SD 4.04Å; F97-M102 HydrophobicContact CD1-SD 3.87Å; F97-M102 HydrophobicContact CG-SD 4.44Å; F97-M102 WeakPolarHBondContact O-CG 3.45Å; F97-W105 AromaticContact CD1-CD1 3.86Å; F97-W105 AromaticContact CD1-NE1 3.9Å; F97-W105 AromaticContact CE1-CD1 3.91Å; F97-W105 AromaticContact CE1-NE1 3.7Å
98	G	74.4	Confident	83.4	Confident	32 Å²	32	53.6 Å²	53.6	33%	0.33	27%	0.267	S	S	.	.	S	Bend	trans	-91.6	136.4	176.2	0	0	0	0	0	112.6	K94 F100 S101	K94-G98 PolarHBondContact O-N 3.01Å; G98-F100 PolarHBondContact O-N 3.3Å; G98-S101 WeakPolarHBondContact O-CB 3.3Å; G98-S101 PolarHBondContact O-N 3.43Å; G98-S101 VanDerWaalsContact O-N 3.15Å; G98-S101 PolarHBondContact O-OG 2.96Å
99	G	74.6	Confident	83.6	Confident	39 Å²	39	54.7 Å²	54.7	40%	0.402	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	-124.1	164.9	0	0	0	0	0	115	S101 M102	G99-S101 PolarHBondContact O-N 2.99Å; G99-M102 WeakPolarHBondContact O-CB 3.37Å; G99-M102 PolarHBondContact O-N 3.09Å; G99-M102 VanDerWaalsContact O-N 3.16Å
100	F	70.4	Confident	83.3	Confident	9 Å²	9	48.2 Å²	48.2	4%	0.039	25%	0.253	C	S	.	.	H	α-helix	trans	-57.3	-32.2	-180	-72.2	-65.6	0	0	0	114.1	G98 M102 L103 L104 F291 I292 I295 V332 P333	G98-F100 PolarHBondContact O-N 3.3Å; F100-M102 PolarHBondContact O-N 2.85Å; F100-M102 VanDerWaalsContact O-N 3.16Å; F100-L103 WeakPolarHBondContact O-CB 3.35Å; F100-L103 PolarHBondContact O-N 2.94Å; F100-L104 PolarHBondContact O-N 3.44Å; F100-F291 AromaticContact CE2-CD1 4Å; F100-F291 HydrophobicContact CE2-CD1 4Å; F100-F291 AromaticContact CE2-CE1 3.44Å; F100-F291 HydrophobicContact CE2-CE1 3.44Å; F100-F291 VanDerWaalsContact CE2-CE1 3.44Å; F100-F291 HydrophobicContact CE2-CZ 4.22Å; F100-F291 AromaticContact CZ-CD1 3.96Å; F100-F291 HydrophobicContact CZ-CD1 3.96Å; F100-F291 AromaticContact CZ-CE1 3.32Å; F100-F291 HydrophobicContact CZ-CE1 3.32Å; F100-F291 AromaticContact CZ-CZ 3.67Å; F100-F291 HydrophobicContact CZ-CZ 3.67Å; F100-I292 HydrophobicContact CD1-CG1 4.38Å; F100-I292 HydrophobicContact CD2-CD1 4.05Å; F100-I292 HydrophobicContact CD2-CG1 3.7Å; F100-I292 HydrophobicContact CE1-CG1 4.06Å; F100-I292 HydrophobicContact CE2-CD1 4.05Å; F100-I292 HydrophobicContact CE2-CG1 3.31Å; F100-I292 HydrophobicContact CG-CG1 4.22Å; F100-I292 HydrophobicContact CZ-CB 4.33Å; F100-I292 HydrophobicContact CZ-CG1 3.51Å; F100-I295 HydrophobicContact CE1-CB 4.45Å; F100-I295 HydrophobicContact CE1-CG2 4.27Å; F100-V332 HydrophobicContact CD1-CG1 3.92Å; F100-P333 HydrophobicContact CZ-CG 4.49Å
101	S	82.1	Confident	83	Confident	3 Å²	3	46 Å²	46	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-32.7	178.9	-57.1	0	0	0	0	111.9	L96 G98 G99 W105	L96-S101 WeakPolarHBondContact O-CB 3.23Å; G98-S101 WeakPolarHBondContact O-CB 3.3Å; G98-S101 PolarHBondContact O-N 3.43Å; G98-S101 VanDerWaalsContact O-N 3.15Å; G98-S101 PolarHBondContact O-OG 2.96Å; G99-S101 PolarHBondContact O-N 2.99Å; S101-W105 WeakPolarHBondContact O-CB 3.29Å; S101-W105 PolarHBondContact O-N 2.92Å
102	M	83.7	Confident	83.3	Confident	84 Å²	84	47.9 Å²	47.9	41%	0.414	25%	0.248	S	C	.	.	H	α-helix	trans	-67.2	-40.6	174.5	-77.7	-66.4	-61.2	0	0	112.6	F97 G99 F100 W105 I106	F97-M102 HydrophobicContact CB-SD 4.04Å; F97-M102 HydrophobicContact CD1-SD 3.87Å; F97-M102 HydrophobicContact CG-SD 4.44Å; F97-M102 WeakPolarHBondContact O-CG 3.45Å; G99-M102 WeakPolarHBondContact O-CB 3.37Å; G99-M102 PolarHBondContact O-N 3.09Å; G99-M102 VanDerWaalsContact O-N 3.16Å; F100-M102 PolarHBondContact O-N 2.85Å; F100-M102 VanDerWaalsContact O-N 3.16Å; M102-W105 PolarHBondContact O-N 3.03Å; M102-I106 VanDerWaalsContact O-CG1 3.28Å; M102-I106 WeakPolarHBondContact O-CG1 3.42Å; M102-I106 PolarHBondContact O-N 3.35Å
103	L	77.7	Confident	83.2	Confident	19 Å²	19	49.9 Å²	49.9	10%	0.099	26%	0.261	C	S	.	.	H	α-helix	trans	-67.4	-40.3	178.4	-171	60.3	0	0	0	110.7	F100 I106 G107 I328 V332	F100-L103 WeakPolarHBondContact O-CB 3.35Å; F100-L103 PolarHBondContact O-N 2.94Å; L103-I106 PolarHBondContact O-N 2.96Å; L103-G107 PolarHBondContact O-N 3.18Å; L103-I328 HydrophobicContact CD1-CG2 4.1Å; L103-I328 HydrophobicContact CG-CG2 4.42Å; L103-V332 HydrophobicContact CD2-CB 4.45Å; L103-V332 HydrophobicContact CD2-CG1 4.37Å; L103-V332 HydrophobicContact CD2-CG2 3.3Å; L103-V332 HydrophobicContact CG-CG2 3.77Å
104	L	83.3	Confident	82.7	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.052	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-38.5	174.1	-64.8	178.5	0	0	0	112.6	F100 I106 G107 A108 L136 V139 V140 V332 E334	F100-L104 PolarHBondContact O-N 3.44Å; L104-I106 VanDerWaalsContact C-N 3.34Å; L104-G107 PolarHBondContact O-N 2.83Å; L104-A108 WeakPolarHBondContact O-CB 3.38Å; L104-A108 PolarHBondContact O-N 3.47Å; L104-L136 HydrophobicContact CD2-CD2 4.19Å; L104-V139 HydrophobicContact CD1-CG1 4.3Å; L104-V140 HydrophobicContact CB-CG2 3.4Å; L104-V140 VanDerWaalsContact CB-CG2 3.4Å; L104-V140 HydrophobicContact CD1-CG2 3.85Å; L104-V140 HydrophobicContact CG-CG2 4.28Å; L104-V332 HydrophobicContact CD2-CB 4.23Å; L104-V332 HydrophobicContact CD2-CG1 3.81Å; L104-V332 HydrophobicContact CG-CG1 4.26Å; L104-E334 HydrophobicContact CD1-CG 4.34Å; L104-E334 HydrophobicContact CD2-CG 3.66Å
105	W	88.3	Confident	82.7	Confident	53 Å²	53	43.5 Å²	43.5	20%	0.201	23%	0.228	C	C	.	.	H	α-helix	trans	-61.3	-43.5	171.7	-83.7	125.4	0	0	0	111.9	L96 F97 S101 M102 A108 I109 V140 I141	L96-W105 PolarHBondContact O-NE1 2.98Å; F97-W105 AromaticContact CD1-CD1 3.86Å; F97-W105 AromaticContact CD1-NE1 3.9Å; F97-W105 AromaticContact CE1-CD1 3.91Å; F97-W105 AromaticContact CE1-NE1 3.7Å; S101-W105 WeakPolarHBondContact O-CB 3.29Å; S101-W105 PolarHBondContact O-N 2.92Å; M102-W105 PolarHBondContact O-N 3.03Å; W105-A108 PolarHBondContact O-N 3.36Å; W105-I109 WeakPolarHBondContact O-CB 3.46Å; W105-I109 WeakPolarHBondContact O-CG1 3.5Å; W105-I109 PolarHBondContact O-N 2.86Å; W105-V140 HydrophobicContact CD2-CG1 4.45Å; W105-V140 HydrophobicContact CZ2-CB 4.27Å; W105-V140 HydrophobicContact CZ2-CG1 3.89Å; W105-V140 VanDerWaalsContact NE1-CG1 3.3Å; W105-I141 HydrophobicContact CH2-CD1 4.49Å; W105-I141 HydrophobicContact CH2-CG1 4.41Å; W105-I141 HydrophobicContact CZ2-CG1 4.44Å
106	I	84	Confident	82.9	Confident	85 Å²	85	42.3 Å²	42.3	44%	0.436	23%	0.232	S	C	.	.	H	α-helix	trans	-61.7	-46.4	175.6	-68.1	165.3	0	0	0	109.8	M102 L103 L104 A108 I109 L110	M102-I106 VanDerWaalsContact O-CG1 3.28Å; M102-I106 WeakPolarHBondContact O-CG1 3.42Å; M102-I106 PolarHBondContact O-N 3.35Å; L103-I106 PolarHBondContact O-N 2.96Å; L104-I106 VanDerWaalsContact C-N 3.34Å; I106-A108 PolarHBondContact O-N 3.38Å; I106-I109 PolarHBondContact O-N 2.94Å; I106-L110 HydrophobicContact CG2-CD1 3.88Å; I106-L110 HydrophobicContact CG2-CG 4.37Å; I106-L110 WeakPolarHBondContact O-CB 3.31Å; I106-L110 VanDerWaalsContact O-CG 3.24Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 3.02Å
107	G	80.8	Confident	82.7	Confident	4 Å²	4	45.3 Å²	45.3	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-57.4	-47.1	175.2	0	0	0	0	0	112.7	L103 L104 L110 C111	L103-G107 PolarHBondContact O-N 3.18Å; L104-G107 PolarHBondContact O-N 2.83Å; G107-L110 PolarHBondContact O-N 3.44Å; G107-C111 PolarHBondContact O-N 3.19Å; G107-C111 PolarHBondContact O-SG 3.17Å
108	A	88.1	Confident	82.4	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-45.7	178.3	0	0	0	0	0	112.4	L104 W105 I106 L110 C111 F112 L136	L104-A108 WeakPolarHBondContact O-CB 3.38Å; L104-A108 PolarHBondContact O-N 3.47Å; W105-A108 PolarHBondContact O-N 3.36Å; I106-A108 PolarHBondContact O-N 3.38Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.16Å; A108-C111 WeakPolarHBondContact O-CB 3.5Å; A108-C111 PolarHBondContact O-N 3.16Å; A108-F112 HydrophobicContact CB-CE2 4.49Å; A108-F112 WeakPolarHBondContact O-CD2 3.4Å; A108-F112 WeakPolarHBondContact O-CG 3.29Å; A108-F112 PolarHBondContact O-N 2.73Å; A108-L136 HydrophobicContact CB-CB 3.93Å
109	I	89.4	Confident	82.8	Confident	106 Å²	106	41.7 Å²	41.7	54%	0.544	23%	0.231	S	C	.	.	H	α-helix	trans	-61.7	-42.2	176.7	-69.4	166.7	0	0	0	110.6	W105 I106 C111 F112 L113	W105-I109 WeakPolarHBondContact O-CB 3.46Å; W105-I109 WeakPolarHBondContact O-CG1 3.5Å; W105-I109 PolarHBondContact O-N 2.86Å; I106-I109 PolarHBondContact O-N 2.94Å; I109-C111 VanDerWaalsContact C-N 3.35Å; I109-F112 PolarHBondContact O-N 2.8Å; I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 PolarHBondContact O-N 3.44Å
110	L	83.3	Confident	83.3	Confident	46 Å²	46	44.2 Å²	44.2	24%	0.241	25%	0.249	C	C	.	.	H	α-helix	trans	-65.3	-37.3	176.5	-71.9	173.1	0	0	0	112.1	I106 G107 A108 L113 A114 I325	I106-L110 HydrophobicContact CG2-CD1 3.88Å; I106-L110 HydrophobicContact CG2-CG 4.37Å; I106-L110 WeakPolarHBondContact O-CB 3.31Å; I106-L110 VanDerWaalsContact O-CG 3.24Å; I106-L110 WeakPolarHBondContact O-CG 3.3Å; I106-L110 PolarHBondContact O-N 3.02Å; G107-L110 PolarHBondContact O-N 3.44Å; A108-L110 VanDerWaalsContact C-N 3.32Å; A108-L110 PolarHBondContact O-N 3.16Å; L110-L113 PolarHBondContact O-N 2.91Å; L110-A114 WeakPolarHBondContact O-CB 3.23Å; L110-A114 PolarHBondContact O-N 3.16Å; L110-I325 HydrophobicContact CB-CD1 3.72Å; L110-I325 HydrophobicContact CB-CG1 3.75Å; L110-I325 HydrophobicContact CD1-CG1 4.23Å
111	C	83.6	Confident	83.6	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-45.4	173.6	-67.9	0	0	0	0	111.7	G107 A108 I109 L113 A114 Y115 N129	G107-C111 PolarHBondContact O-N 3.19Å; G107-C111 PolarHBondContact O-SG 3.17Å; A108-C111 WeakPolarHBondContact O-CB 3.5Å; A108-C111 PolarHBondContact O-N 3.16Å; I109-C111 VanDerWaalsContact C-N 3.35Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 2.78Å; C111-A114 PolarHBondContact O-N 3.09Å; C111-Y115 WeakPolarHBondContact O-CB 3.48Å; C111-Y115 PolarHBondContact O-N 3.12Å; C111-N129 WeakPolarHBondContact CB-O 3.21Å
112	F	89	Confident	83.2	Confident	78 Å²	78	51.8 Å²	51.8	34%	0.342	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-37.5	175.6	-65.8	-47.8	0	0	0	112.4	A108 I109 G116 L130 G133 I134	A108-F112 HydrophobicContact CB-CE2 4.49Å; A108-F112 WeakPolarHBondContact O-CD2 3.4Å; A108-F112 WeakPolarHBondContact O-CG 3.29Å; A108-F112 PolarHBondContact O-N 2.73Å; I109-F112 PolarHBondContact O-N 2.8Å; F112-G116 PolarHBondContact O-N 3.21Å; F112-L130 HydrophobicContact CD1-CD1 4.16Å; F112-L130 HydrophobicContact CE1-CD1 4.11Å; F112-G133 WeakPolarHBondContact CZ-O 3.48Å; F112-I134 HydrophobicContact CE1-CG1 4.02Å; F112-I134 HydrophobicContact CZ-CG1 4.22Å
113	L	84.9	Confident	82.4	Confident	100 Å²	100	56.2 Å²	56.2	52%	0.524	32%	0.321	S	S	.	.	H	α-helix	trans	-65.8	-46	175.4	-178.7	65	0	0	0	111.4	I109 L110 C111 Y115 G116 I117	I109-L113 WeakPolarHBondContact O-CB 3.41Å; I109-L113 PolarHBondContact O-N 3.44Å; L110-L113 PolarHBondContact O-N 2.91Å; C111-L113 VanDerWaalsContact C-N 3.31Å; C111-L113 PolarHBondContact O-N 2.78Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; L113-Y115 PolarHBondContact O-N 3.42Å; L113-G116 PolarHBondContact O-N 3.46Å; L113-I117 HydrophobicContact CD1-CD1 4.44Å; L113-I117 HydrophobicContact CG-CD1 4.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.11Å; L113-I117 PolarHBondContact O-N 3.1Å
114	A	79.4	Confident	81.9	Confident	1 Å²	1	62.9 Å²	62.9	1%	0.008	35%	0.352	C	S	.	.	H	α-helix	trans	-60.1	-45	177.3	0	0	0	0	0	111.4	L110 C111 G116 I117 Q118 I322 I325	L110-A114 WeakPolarHBondContact O-CB 3.23Å; L110-A114 PolarHBondContact O-N 3.16Å; C111-A114 PolarHBondContact O-N 3.09Å; A114-G116 PolarHBondContact O-N 2.88Å; A114-I117 PolarHBondContact O-N 3.03Å; A114-Q118 WeakPolarHBondContact O-CG 3.31Å; A114-Q118 PolarHBondContact O-N 2.96Å; A114-I322 HydrophobicContact CB-CG1 4.34Å; A114-I325 HydrophobicContact CB-CD1 4.05Å
115	Y	85.3	Confident	81.3	Confident	51 Å²	51	63.9 Å²	63.9	20%	0.2	36%	0.359	C	S	.	.	H	α-helix	trans	-61.1	-43.3	173.9	179.2	-103.3	0	0	0	112.1	C111 L113 I117 Q118 A119 P125 L130	C111-Y115 WeakPolarHBondContact O-CB 3.48Å; C111-Y115 PolarHBondContact O-N 3.12Å; L113-Y115 VanDerWaalsContact C-N 3.35Å; L113-Y115 PolarHBondContact O-N 3.42Å; Y115-I117 VanDerWaalsContact C-N 3.29Å; Y115-I117 PolarHBondContact O-N 3.29Å; Y115-Q118 PolarHBondContact O-N 3.05Å; Y115-A119 HydrophobicContact CE1-CB 4.41Å; Y115-A119 VanDerWaalsContact O-CB 3.27Å; Y115-A119 WeakPolarHBondContact O-CB 3.41Å; Y115-A119 PolarHBondContact O-N 3.37Å; Y115-P125 HydrophobicContact CE2-CB 4.29Å; Y115-P125 HydrophobicContact CE2-CG 4.41Å; Y115-L130 HydrophobicContact CD1-CB 4.09Å; Y115-L130 HydrophobicContact CD1-CD1 4.14Å; Y115-L130 HydrophobicContact CD2-CB 3.8Å; Y115-L130 HydrophobicContact CE1-CB 4.21Å; Y115-L130 HydrophobicContact CE1-CD1 4.22Å; Y115-L130 HydrophobicContact CE1-CD2 4.06Å; Y115-L130 HydrophobicContact CE1-CG 4.39Å; Y115-L130 HydrophobicContact CE2-CB 3.92Å; Y115-L130 HydrophobicContact CE2-CD2 4.47Å; Y115-L130 HydrophobicContact CG-CB 3.88Å
116	G	86.3	Confident	80.5	Confident	39 Å²	39	63.3 Å²	63.3	40%	0.402	37%	0.366	S	S	.	.	H	α-helix	trans	-61.2	-36.1	177.8	0	0	0	0	0	113.3	F112 L113 A114 A120	F112-G116 PolarHBondContact O-N 3.21Å; L113-G116 PolarHBondContact O-N 3.46Å; A114-G116 PolarHBondContact O-N 2.88Å; G116-A120 WeakPolarHBondContact O-CB 3.4Å; G116-A120 PolarHBondContact O-N 3.23Å
117	I	82.8	Confident	80.4	Confident	79 Å²	79	62.9 Å²	62.9	41%	0.405	36%	0.364	S	S	.	.	H	α-helix	trans	-71.8	-45.1	175.2	-62.8	164.9	0	0	0	110.8	L113 A114 Y115 A120 A121 L318	L113-I117 HydrophobicContact CD1-CD1 4.44Å; L113-I117 HydrophobicContact CG-CD1 4.22Å; L113-I117 WeakPolarHBondContact O-CG1 3.11Å; L113-I117 PolarHBondContact O-N 3.1Å; A114-I117 PolarHBondContact O-N 3.03Å; Y115-I117 VanDerWaalsContact C-N 3.29Å; Y115-I117 PolarHBondContact O-N 3.29Å; I117-A120 PolarHBondContact O-N 3.43Å; I117-A121 WeakPolarHBondContact O-CB 3.29Å; I117-A121 PolarHBondContact O-N 2.89Å; I117-A121 VanDerWaalsContact O-N 3.1Å; I117-L318 HydrophobicContact CB-CD1 3.99Å; I117-L318 HydrophobicContact CD1-CD1 4.27Å; I117-L318 HydrophobicContact CG2-CD1 3.63Å; I117-L318 HydrophobicContact CG2-CD2 4.12Å; I117-L318 HydrophobicContact CG2-CG 4.49Å
118	Q	78.7	Confident	80.2	Confident	25 Å²	25	66 Å²	66	12%	0.117	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-46	177.9	-75.4	176.5	-34.7	0	0	112	A114 Y115 A120 A121 E122 P125 N129 L318 I322	A114-Q118 WeakPolarHBondContact O-CG 3.31Å; A114-Q118 PolarHBondContact O-N 2.96Å; Y115-Q118 PolarHBondContact O-N 3.05Å; Q118-A120 PolarHBondContact O-N 3.23Å; Q118-A121 PolarHBondContact O-N 3.13Å; Q118-E122 PolarHBondContact O-N 3.34Å; Q118-P125 HydrophobicContact CB-CB 4.38Å; Q118-N129 PolarHBondContact OE1-ND2 3.07Å; Q118-L318 HydrophobicContact CG-CD2 4.07Å; Q118-I322 VanDerWaalsContact NE2-CD1 3.32Å
119	A	84.1	Confident	79.7	Confident	45 Å²	45	67 Å²	67	37%	0.372	39%	0.385	S	S	.	.	H	α-helix	trans	-65.3	-21	178.3	0	0	0	0	0	113.6	Y115 P125	Y115-A119 HydrophobicContact CE1-CB 4.41Å; Y115-A119 VanDerWaalsContact O-CB 3.27Å; Y115-A119 WeakPolarHBondContact O-CB 3.41Å; Y115-A119 PolarHBondContact O-N 3.37Å; A119-P125 HydrophobicContact CB-CB 4.13Å; A119-P125 HydrophobicContact CB-CG 3.88Å
120	A	83.4	Confident	79.5	Confident	92 Å²	92	64.3 Å²	64.3	76%	0.76	37%	0.372	S	S	*	.	H	α-helix	trans	-87.9	-21.3	173.5	0	0	0	0	0	113.2	G116 I117 Q118	G116-A120 WeakPolarHBondContact O-CB 3.4Å; G116-A120 PolarHBondContact O-N 3.23Å; I117-A120 PolarHBondContact O-N 3.43Å; Q118-A120 PolarHBondContact O-N 3.23Å
121	A	78.3	Confident	79.6	Confident	74 Å²	74	69.2 Å²	69.2	61%	0.612	39%	0.388	S	S	*	.	H	α-helix	trans	-100.9	-28.6	-174.8	0	0	0	0	0	113.8	I117 Q118	I117-A121 WeakPolarHBondContact O-CB 3.29Å; I117-A121 PolarHBondContact O-N 2.89Å; I117-A121 VanDerWaalsContact O-N 3.1Å; Q118-A121 PolarHBondContact O-N 3.13Å
122	E	73.8	Confident	79.4	Confident	97 Å²	97	70 Å²	70	45%	0.453	39%	0.392	S	S	.	.			trans	-122.9	141.1	-175.3	-64.2	176.9	-169.1	0	0	111.3	Q118 E124	Q118-E122 PolarHBondContact O-N 3.34Å; E122-E124 VanDerWaalsContact C-N 3.34Å; E122-E124 PolarHBondContact O-N 2.86Å
123	D	65.6	Low	79.3	Confident	176 Å²	176	66.2 Å²	66.2	94%	0.941	38%	0.376	S	S	*	.	S	Bend	trans	-69.6	-26.9	179.7	-86.7	-24.1	0	0	0	113.2
124	E	68.1	Low	79.6	Confident	160 Å²	160	65.7 Å²	65.7	75%	0.748	37%	0.373	S	S	*	.	S	Bend	trans	-128.5	78.8	176.3	-71.8	-169.1	167	0	0	111.4	E122	E122-E124 VanDerWaalsContact C-N 3.34Å; E122-E124 PolarHBondContact O-N 2.86Å
125	P	69.4	Low	79.9	Confident	31 Å²	31	68.5 Å²	68.5	20%	0.201	39%	0.389	C	S	.	.			trans	-68.9	140.5	-179.6	29.4	-36	0	0	0	111.3	Y115 Q118 A119 N127	Y115-P125 HydrophobicContact CE2-CB 4.29Å; Y115-P125 HydrophobicContact CE2-CG 4.41Å; Q118-P125 HydrophobicContact CB-CB 4.38Å; A119-P125 HydrophobicContact CB-CB 4.13Å; A119-P125 HydrophobicContact CB-CG 3.88Å; P125-N127 PolarHBondContact O-N 2.94Å
126	A	72.3	Confident	79.9	Confident	40 Å²	40	66 Å²	66	33%	0.331	38%	0.38	S	S	.	.			trans	-65.7	131.9	172.3	0	0	0	0	0	110.5	D128	A126-D128 PolarHBondContact O-N 3.46Å
127	N	81.8	Confident	80.1	Confident	76 Å²	76	65 Å²	65	41%	0.406	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-4.6	179.8	-65.4	-47.7	0	0	0	113.4	P125 N129 L130 Y131	P125-N127 PolarHBondContact O-N 2.94Å; N127-N129 PolarHBondContact O-N 3.36Å; N127-L130 WeakPolarHBondContact O-CB 3.41Å; N127-L130 PolarHBondContact O-N 3Å; N127-L130 VanDerWaalsContact O-N 3.09Å; N127-Y131 HydrophobicContact CB-CD2 3.65Å; N127-Y131 HydrophobicContact CB-CE2 3.51Å; N127-Y131 WeakPolarHBondContact O-CD2 3.35Å; N127-Y131 PolarHBondContact O-N 3.14Å
128	D	75.6	Confident	80.5	Confident	69 Å²	69	63 Å²	63	37%	0.369	36%	0.362	S	S	.	.	H	α-helix	trans	-57.7	-45.9	-171.5	-62.2	3.4	0	0	0	111.8	A126 L130 Y131 L132 R979	A126-D128 PolarHBondContact O-N 3.46Å; D128-L130 PolarHBondContact O-N 3.03Å; D128-Y131 PolarHBondContact O-N 3.12Å; D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.48Å; D128-L132 PolarHBondContact O-N 3.41Å; D128-R979 IonicContact OD1-CZ 2.81Å; D128-R979 IonicContact OD1-NH1 2.78Å; D128-R979 PolarHBondContact OD1-NH1 3.27Å; D128-R979 IonicContact OD1-NH2 2.9Å; D128-R979 PolarHBondContact OD1-NH2 3.19Å; D128-R979 IonicContact OD2-CZ 2.72Å; D128-R979 IonicContact OD2-NH1 2.65Å; D128-R979 PolarHBondContact OD2-NH1 3.49Å; D128-R979 IonicContact OD2-NH2 2.78Å; D128-R979 PolarHBondContact OD2-NH2 3.48Å
129	N	77.6	Confident	80.8	Confident	21 Å²	21	62.5 Å²	62.5	11%	0.112	36%	0.36	C	S	.	.	H	α-helix	trans	-68.1	-33.2	178.1	-73.8	-33.1	0	0	0	112.8	C111 Q118 N127 G133	C111-N129 WeakPolarHBondContact CB-O 3.21Å; Q118-N129 PolarHBondContact OE1-ND2 3.07Å; N127-N129 PolarHBondContact O-N 3.36Å; N129-G133 PolarHBondContact O-N 3.44Å
130	L	86.5	Confident	81	Confident	50 Å²	50	60.4 Å²	60.4	26%	0.262	34%	0.343	S	S	.	.	H	α-helix	trans	-68	-49.5	175.2	178.9	64.9	0	0	0	110.9	F112 Y115 N127 D128 L132 G133 I134	F112-L130 HydrophobicContact CD1-CD1 4.16Å; F112-L130 HydrophobicContact CE1-CD1 4.11Å; Y115-L130 HydrophobicContact CD1-CB 4.09Å; Y115-L130 HydrophobicContact CD1-CD1 4.14Å; Y115-L130 HydrophobicContact CD2-CB 3.8Å; Y115-L130 HydrophobicContact CE1-CB 4.21Å; Y115-L130 HydrophobicContact CE1-CD1 4.22Å; Y115-L130 HydrophobicContact CE1-CD2 4.06Å; Y115-L130 HydrophobicContact CE1-CG 4.39Å; Y115-L130 HydrophobicContact CE2-CB 3.92Å; Y115-L130 HydrophobicContact CE2-CD2 4.47Å; Y115-L130 HydrophobicContact CG-CB 3.88Å; N127-L130 WeakPolarHBondContact O-CB 3.41Å; N127-L130 PolarHBondContact O-N 3Å; N127-L130 VanDerWaalsContact O-N 3.09Å; D128-L130 PolarHBondContact O-N 3.03Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 2.97Å; L130-G133 PolarHBondContact O-N 2.99Å; L130-I134 HydrophobicContact CD1-CD1 4.24Å; L130-I134 HydrophobicContact CG-CD1 4.11Å; L130-I134 WeakPolarHBondContact O-CG1 3.26Å; L130-I134 PolarHBondContact O-N 3.42Å
131	Y	84.4	Confident	81.3	Confident	150 Å²	150	59.7 Å²	59.7	59%	0.588	33%	0.325	S	S	*	.	H	α-helix	trans	-61	-44.1	177.4	-78.7	-67.1	0	0	0	111.4	N127 D128 G133 I134 V135	N127-Y131 HydrophobicContact CB-CD2 3.65Å; N127-Y131 HydrophobicContact CB-CE2 3.51Å; N127-Y131 WeakPolarHBondContact O-CD2 3.35Å; N127-Y131 PolarHBondContact O-N 3.14Å; D128-Y131 PolarHBondContact O-N 3.12Å; Y131-G133 PolarHBondContact O-N 3.38Å; Y131-I134 PolarHBondContact O-N 3.03Å; Y131-V135 VanDerWaalsContact O-CG2 3.29Å; Y131-V135 WeakPolarHBondContact O-CG2 3.23Å; Y131-V135 PolarHBondContact O-N 3.1Å
132	L	80.3	Confident	81.7	Confident	15 Å²	15	61.6 Å²	61.6	8%	0.079	32%	0.324	C	S	.	.	H	α-helix	trans	-59.9	-46.6	177.5	-176.1	61.5	0	0	0	111.9	D128 L130 I134 V135 L136 T804 L808	D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.48Å; D128-L132 PolarHBondContact O-N 3.41Å; L130-L132 VanDerWaalsContact C-N 3.34Å; L130-L132 PolarHBondContact O-N 2.97Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 3.23Å; L132-V135 PolarHBondContact O-N 3.42Å; L132-L136 HydrophobicContact CD1-CD1 4.36Å; L132-L136 HydrophobicContact CD1-CG 4.24Å; L132-L136 HydrophobicContact CG-CD1 4.19Å; L132-L136 HydrophobicContact CG-CG 4.46Å; L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 2.77Å; L132-T804 HydrophobicContact CD1-CG2 3.58Å; L132-T804 HydrophobicContact CD2-CG2 3.7Å; L132-T804 HydrophobicContact CG-CG2 4.31Å; L132-L808 HydrophobicContact CD1-CD1 3.79Å
133	G	86.4	Confident	82	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-39.7	176.5	0	0	0	0	0	113.2	F112 N129 L130 Y131 S137	F112-G133 WeakPolarHBondContact CZ-O 3.48Å; N129-G133 PolarHBondContact O-N 3.44Å; L130-G133 PolarHBondContact O-N 2.99Å; Y131-G133 PolarHBondContact O-N 3.38Å; G133-S137 WeakPolarHBondContact O-CB 3.18Å; G133-S137 PolarHBondContact O-N 3.19Å; G133-S137 VanDerWaalsContact O-N 3.07Å; G133-S137 PolarHBondContact O-OG 2.89Å
134	I	90.8	Very high	82.9	Confident	89 Å²	89	49.4 Å²	49.4	46%	0.456	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-46.8	175.5	-68.1	168	0	0	0	110.7	F112 L130 Y131 L132 S137 A138	F112-I134 HydrophobicContact CE1-CG1 4.02Å; F112-I134 HydrophobicContact CZ-CG1 4.22Å; L130-I134 HydrophobicContact CD1-CD1 4.24Å; L130-I134 HydrophobicContact CG-CD1 4.11Å; L130-I134 WeakPolarHBondContact O-CG1 3.26Å; L130-I134 PolarHBondContact O-N 3.42Å; Y131-I134 PolarHBondContact O-N 3.03Å; L132-I134 VanDerWaalsContact C-N 3.33Å; L132-I134 PolarHBondContact O-N 3.23Å; I134-S137 PolarHBondContact O-N 2.86Å; I134-A138 WeakPolarHBondContact O-CB 3.29Å; I134-A138 PolarHBondContact O-N 3.12Å
135	V	86.4	Confident	83.8	Confident	59 Å²	59	44.5 Å²	44.5	36%	0.358	25%	0.246	S	C	.	.	H	α-helix	trans	-63.1	-48.7	-179.3	173	0	0	0	0	110.6	Y131 L132 S137 A138 V139 L808	Y131-V135 VanDerWaalsContact O-CG2 3.29Å; Y131-V135 WeakPolarHBondContact O-CG2 3.23Å; Y131-V135 PolarHBondContact O-N 3.1Å; L132-V135 PolarHBondContact O-N 3.42Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 3.16Å; V135-A138 WeakPolarHBondContact O-CB 3.11Å; V135-A138 PolarHBondContact O-N 3.26Å; V135-A138 VanDerWaalsContact O-N 3.08Å; V135-V139 HydrophobicContact CG1-CG2 4.29Å; V135-V139 VanDerWaalsContact O-CG2 3.28Å; V135-V139 WeakPolarHBondContact O-CG2 3.28Å; V135-V139 PolarHBondContact O-N 3.35Å; V135-L808 HydrophobicContact CB-CD1 4.5Å; V135-L808 HydrophobicContact CG1-CD1 3.81Å
136	L	84.6	Confident	84.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-42.5	177.1	-68.7	178.3	0	0	0	111.9	L104 A108 L132 A138 V139 V140 V329 L808	L104-L136 HydrophobicContact CD2-CD2 4.19Å; A108-L136 HydrophobicContact CB-CB 3.93Å; L132-L136 HydrophobicContact CD1-CD1 4.36Å; L132-L136 HydrophobicContact CD1-CG 4.24Å; L132-L136 HydrophobicContact CG-CD1 4.19Å; L132-L136 HydrophobicContact CG-CG 4.46Å; L132-L136 WeakPolarHBondContact O-CB 3.31Å; L132-L136 WeakPolarHBondContact O-CG 3.31Å; L132-L136 PolarHBondContact O-N 2.77Å; L136-A138 PolarHBondContact O-N 3.3Å; L136-V139 PolarHBondContact O-N 3.1Å; L136-V140 WeakPolarHBondContact O-CG2 3.46Å; L136-V140 PolarHBondContact O-N 2.8Å; L136-V140 VanDerWaalsContact O-N 3.11Å; L136-V329 HydrophobicContact CD1-CG2 4.07Å; L136-L808 HydrophobicContact CD2-CD2 4.41Å
137	S	91.1	Very high	84.4	Confident	17 Å²	17	45.8 Å²	45.8	12%	0.119	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-42	175.3	-58.2	0	0	0	0	111.9	G133 I134 V135 V140 I141	G133-S137 WeakPolarHBondContact O-CB 3.18Å; G133-S137 PolarHBondContact O-N 3.19Å; G133-S137 VanDerWaalsContact O-N 3.07Å; G133-S137 PolarHBondContact O-OG 2.89Å; I134-S137 PolarHBondContact O-N 2.86Å; V135-S137 VanDerWaalsContact C-N 3.31Å; V135-S137 PolarHBondContact O-N 3.16Å; S137-V140 PolarHBondContact O-N 2.84Å; S137-I141 VanDerWaalsContact O-CG1 3.3Å; S137-I141 WeakPolarHBondContact O-CG1 3.38Å; S137-I141 PolarHBondContact O-N 2.82Å; S137-I141 VanDerWaalsContact O-N 3.09Å
138	A	90.4	Very high	84.5	Confident	38 Å²	38	44.9 Å²	44.9	31%	0.314	23%	0.234	S	C	.	.	H	α-helix	trans	-64.9	-40.5	177.1	0	0	0	0	0	111.8	I134 V135 L136 V140 I141 I142	I134-A138 WeakPolarHBondContact O-CB 3.29Å; I134-A138 PolarHBondContact O-N 3.12Å; V135-A138 WeakPolarHBondContact O-CB 3.11Å; V135-A138 PolarHBondContact O-N 3.26Å; V135-A138 VanDerWaalsContact O-N 3.08Å; L136-A138 PolarHBondContact O-N 3.3Å; A138-V140 PolarHBondContact O-N 2.87Å; A138-I141 PolarHBondContact O-N 2.9Å; A138-I142 WeakPolarHBondContact O-CB 3.29Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.33Å; A138-I142 PolarHBondContact O-N 2.85Å
139	V	85.6	Confident	84.6	Confident	14 Å²	14	48.6 Å²	48.6	9%	0.085	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-46.5	175.8	170.1	0	0	0	0	110.9	L104 V135 L136 I141 I142 T143 E334 L812	L104-V139 HydrophobicContact CD1-CG1 4.3Å; V135-V139 HydrophobicContact CG1-CG2 4.29Å; V135-V139 VanDerWaalsContact O-CG2 3.28Å; V135-V139 WeakPolarHBondContact O-CG2 3.28Å; V135-V139 PolarHBondContact O-N 3.35Å; L136-V139 PolarHBondContact O-N 3.1Å; V139-I141 PolarHBondContact O-N 3.26Å; V139-I142 PolarHBondContact O-N 3.42Å; V139-T143 VanDerWaalsContact O-CB 3.25Å; V139-T143 WeakPolarHBondContact O-CB 3.33Å; V139-T143 PolarHBondContact O-N 3.02Å; V139-T143 PolarHBondContact O-OG1 3Å; V139-E334 HydrophobicContact CG1-CB 4.43Å; V139-L812 HydrophobicContact CG1-CD1 4.38Å; V139-L812 HydrophobicContact CG1-CD2 4.31Å; V139-L812 HydrophobicContact CG2-CD1 3.41Å; V139-L812 VanDerWaalsContact CG2-CD1 3.41Å
140	V	87.9	Confident	84.2	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.8	-43.1	177.5	177.1	0	0	0	0	111.4	L96 L104 W105 L136 S137 A138 G144	L96-V140 HydrophobicContact CD2-CG1 4.23Å; L96-V140 WeakPolarHBondContact CD2-O 3.27Å; L104-V140 HydrophobicContact CB-CG2 3.4Å; L104-V140 VanDerWaalsContact CB-CG2 3.4Å; L104-V140 HydrophobicContact CD1-CG2 3.85Å; L104-V140 HydrophobicContact CG-CG2 4.28Å; W105-V140 HydrophobicContact CD2-CG1 4.45Å; W105-V140 HydrophobicContact CZ2-CB 4.27Å; W105-V140 HydrophobicContact CZ2-CG1 3.89Å; W105-V140 VanDerWaalsContact NE1-CG1 3.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.46Å; L136-V140 PolarHBondContact O-N 2.8Å; L136-V140 VanDerWaalsContact O-N 3.11Å; S137-V140 PolarHBondContact O-N 2.84Å; A138-V140 PolarHBondContact O-N 2.87Å; V140-G144 PolarHBondContact O-N 3.15Å
141	I	90.4	Very high	83.3	Confident	77 Å²	77	50.2 Å²	50.2	40%	0.395	25%	0.249	S	C	.	.	H	α-helix	trans	-64.6	-48.6	179.2	-67.3	166.2	0	0	0	111.1	W105 S137 A138 V139 T143 G144 C145	W105-I141 HydrophobicContact CH2-CD1 4.49Å; W105-I141 HydrophobicContact CH2-CG1 4.41Å; W105-I141 HydrophobicContact CZ2-CG1 4.44Å; S137-I141 VanDerWaalsContact O-CG1 3.3Å; S137-I141 WeakPolarHBondContact O-CG1 3.38Å; S137-I141 PolarHBondContact O-N 2.82Å; S137-I141 VanDerWaalsContact O-N 3.09Å; A138-I141 PolarHBondContact O-N 2.9Å; V139-I141 PolarHBondContact O-N 3.26Å; I141-T143 VanDerWaalsContact C-N 3.34Å; I141-T143 PolarHBondContact O-N 3.48Å; I141-G144 PolarHBondContact O-N 2.91Å; I141-C145 WeakPolarHBondContact O-CB 3.46Å; I141-C145 PolarHBondContact O-N 2.91Å; I141-C145 PolarHBondContact O-SG 2.84Å
142	I	87.4	Confident	82.7	Confident	114 Å²	114	43.8 Å²	43.8	59%	0.585	23%	0.228	S	C	*	.	H	α-helix	trans	-61.1	-45.5	179.8	-69.4	165.3	0	0	0	110.2	A138 V139 C145 F146	A138-I142 WeakPolarHBondContact O-CB 3.29Å; A138-I142 VanDerWaalsContact O-CG1 3.23Å; A138-I142 WeakPolarHBondContact O-CG1 3.33Å; A138-I142 PolarHBondContact O-N 2.85Å; V139-I142 PolarHBondContact O-N 3.42Å; I142-C145 PolarHBondContact O-N 3.42Å; I142-F146 WeakPolarHBondContact O-CB 3.26Å; I142-F146 PolarHBondContact O-N 3.4Å
143	T	79.8	Confident	82	Confident	17 Å²	17	48.5 Å²	48.5	10%	0.104	25%	0.248	C	C	.	.	H	α-helix	trans	-62.4	-45.5	177.7	-55.4	0	0	0	0	110.9	V139 I141 C145 F146 S147 L337	V139-T143 VanDerWaalsContact O-CB 3.25Å; V139-T143 WeakPolarHBondContact O-CB 3.33Å; V139-T143 PolarHBondContact O-N 3.02Å; V139-T143 PolarHBondContact O-OG1 3Å; I141-T143 VanDerWaalsContact C-N 3.34Å; I141-T143 PolarHBondContact O-N 3.48Å; T143-C145 PolarHBondContact O-N 3.04Å; T143-F146 PolarHBondContact O-N 3.42Å; T143-S147 PolarHBondContact O-N 2.86Å; T143-S147 PolarHBondContact O-OG 3.3Å; T143-S147 VanDerWaalsContact O-OG 3.12Å; T143-L337 HydrophobicContact CG2-CD2 3.89Å; T143-L337 HydrophobicContact CG2-CG 4.25Å
144	G	84.1	Confident	80.7	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.01	25%	0.254	C	S	.	.	H	α-helix	trans	-61.5	-41.5	175.2	0	0	0	0	0	113.4	V140 I141 Y148	V140-G144 PolarHBondContact O-N 3.15Å; I141-G144 PolarHBondContact O-N 2.91Å; G144-Y148 WeakPolarHBondContact O-CB 3.43Å; G144-Y148 PolarHBondContact O-N 2.81Å
145	C	86.9	Confident	79.5	Confident	57 Å²	57	47.8 Å²	47.8	39%	0.385	25%	0.25	S	S	.	.	H	α-helix	trans	-61.1	-44	173.9	-74.5	0	0	0	0	112	F92 I141 I142 T143 Y149	F92-C145 HydrophobicContact CE2-CB 4.43Å; I141-C145 WeakPolarHBondContact O-CB 3.46Å; I141-C145 PolarHBondContact O-N 2.91Å; I141-C145 PolarHBondContact O-SG 2.84Å; I142-C145 PolarHBondContact O-N 3.42Å; T143-C145 PolarHBondContact O-N 3.04Å; C145-Y149 VanDerWaalsContact O-CB 3.26Å; C145-Y149 WeakPolarHBondContact O-CB 3.39Å; C145-Y149 PolarHBondContact O-N 3.13Å
146	F	78.9	Confident	78.4	Confident	81 Å²	81	52.1 Å²	52.1	36%	0.355	26%	0.264	S	S	.	.	H	α-helix	trans	-65.2	-49.5	179.5	-174.1	-105.5	0	0	0	111.6	I142 T143 Y148 Y149 Q150 T341 V342	I142-F146 WeakPolarHBondContact O-CB 3.26Å; I142-F146 PolarHBondContact O-N 3.4Å; T143-F146 PolarHBondContact O-N 3.42Å; F146-Y148 PolarHBondContact O-N 3.44Å; F146-Y149 PolarHBondContact O-N 2.78Å; F146-Q150 WeakPolarHBondContact O-CG 3.48Å; F146-Q150 PolarHBondContact O-N 2.78Å; F146-Q150 VanDerWaalsContact O-N 3.16Å; F146-T341 HydrophobicContact CD1-CG2 4.05Å; F146-T341 HydrophobicContact CE1-CG2 3.89Å; F146-V342 HydrophobicContact CE1-CG2 3.75Å; F146-V342 HydrophobicContact CZ-CG2 3.71Å
147	S	75.6	Confident	77.1	Confident	17 Å²	17	55.4 Å²	55.4	12%	0.119	28%	0.281	C	S	.	.	H	α-helix	trans	-59.4	-45.6	177	-60.2	0	0	0	0	111.8	T143 Q150 E151	T143-S147 PolarHBondContact O-N 2.86Å; T143-S147 PolarHBondContact O-OG 3.3Å; T143-S147 VanDerWaalsContact O-OG 3.12Å; S147-Q150 PolarHBondContact O-N 2.77Å; S147-E151 PolarHBondContact O-N 2.97Å
148	Y	82.9	Confident	75.4	Confident	56 Å²	56	55.8 Å²	55.8	22%	0.22	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-45.7	176.8	171.5	-104.2	0	0	0	112.7	E88 K91 F92 G144 F146 Q150 E151 A152	E88-Y148 WeakPolarHBondContact CB-OH 3.19Å; E88-Y148 WeakPolarHBondContact OE2-CE2 3.2Å; E88-Y148 VanDerWaalsContact OE2-CZ 3.3Å; E88-Y148 PolarHBondContact OE2-OH 3.07Å; K91-Y148 HydrophobicContact CB-CD2 4.35Å; K91-Y148 HydrophobicContact CB-CE2 4.21Å; F92-Y148 HydrophobicContact CB-CD2 4.03Å; F92-Y148 HydrophobicContact CB-CE2 4.36Å; F92-Y148 HydrophobicContact CB-CG 4.2Å; F92-Y148 AromaticContact CD2-CD1 3.99Å; F92-Y148 HydrophobicContact CD2-CD1 3.99Å; F92-Y148 HydrophobicContact CD2-CD2 4.47Å; F92-Y148 AromaticContact CD2-CG 3.81Å; F92-Y148 HydrophobicContact CD2-CG 3.81Å; F92-Y148 HydrophobicContact CG-CG 4.5Å; G144-Y148 WeakPolarHBondContact O-CB 3.43Å; G144-Y148 PolarHBondContact O-N 2.81Å; F146-Y148 PolarHBondContact O-N 3.44Å; Y148-Q150 PolarHBondContact O-N 3.29Å; Y148-E151 PolarHBondContact O-N 3.23Å; Y148-A152 HydrophobicContact CE1-CB 4.37Å; Y148-A152 HydrophobicContact CE2-CB 4.39Å; Y148-A152 VanDerWaalsContact O-CB 3.31Å; Y148-A152 WeakPolarHBondContact O-CB 3.43Å; Y148-A152 PolarHBondContact O-N 3.3Å
149	Y	78.7	Confident	73.9	Confident	148 Å²	148	59.8 Å²	59.8	58%	0.58	29%	0.294	S	S	*	.	H	α-helix	trans	-58.3	-38.4	-179.7	176.1	-96.9	0	0	0	111.8	C145 F146 K153	C145-Y149 VanDerWaalsContact O-CB 3.26Å; C145-Y149 WeakPolarHBondContact O-CB 3.39Å; C145-Y149 PolarHBondContact O-N 3.13Å; F146-Y149 PolarHBondContact O-N 2.78Å; Y149-K153 WeakPolarHBondContact O-CB 3.49Å; Y149-K153 PolarHBondContact O-N 3.23Å
150	Q	68.9	Low	72.2	Confident	22 Å²	22	63 Å²	63	10%	0.103	32%	0.316	C	S	.	.	H	α-helix	trans	-67.7	-46	177.6	-70	-173.4	4.6	0	0	112.6	F146 S147 Y148 A152 K153 S154 T345 L361	F146-Q150 WeakPolarHBondContact O-CG 3.48Å; F146-Q150 PolarHBondContact O-N 2.78Å; F146-Q150 VanDerWaalsContact O-N 3.16Å; S147-Q150 PolarHBondContact O-N 2.77Å; Y148-Q150 PolarHBondContact O-N 3.29Å; Q150-A152 VanDerWaalsContact C-N 3.32Å; Q150-A152 PolarHBondContact O-N 2.89Å; Q150-K153 PolarHBondContact O-N 3.18Å; Q150-S154 PolarHBondContact O-N 3.32Å; Q150-T345 VanDerWaalsContact CD-OG1 3.26Å; Q150-T345 PolarHBondContact NE2-OG1 3.08Å; Q150-T345 PolarHBondContact OE1-OG1 2.76Å; Q150-L361 HydrophobicContact CB-CD1 3.92Å
151	E	68.6	Low	70.2	Confident	82 Å²	82	67.8 Å²	67.8	38%	0.383	34%	0.338	S	S	.	.	H	α-helix	trans	-62.1	-41.1	177	-162.7	-177.1	166.8	0	0	111.5	Q95 S147 Y148 S155	Q95-E151 PolarHBondContact NE2-OE2 3.38Å; S147-E151 PolarHBondContact O-N 2.97Å; Y148-E151 PolarHBondContact O-N 3.23Å; E151-S155 PolarHBondContact O-N 3.06Å; E151-S155 PolarHBondContact O-OG 2.86Å
152	A	70.3	Confident	68.2	Low	16 Å²	16	70.4 Å²	70.4	13%	0.132	35%	0.346	C	S	.	.	H	α-helix	trans	-67.3	-40.2	178.8	0	0	0	0	0	112.8	Y148 Q150 S154 S155 K156	Y148-A152 HydrophobicContact CE1-CB 4.37Å; Y148-A152 HydrophobicContact CE2-CB 4.39Å; Y148-A152 VanDerWaalsContact O-CB 3.31Å; Y148-A152 WeakPolarHBondContact O-CB 3.43Å; Y148-A152 PolarHBondContact O-N 3.3Å; Q150-A152 VanDerWaalsContact C-N 3.32Å; Q150-A152 PolarHBondContact O-N 2.89Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 2.6Å; A152-S155 PolarHBondContact O-N 2.87Å; A152-K156 PolarHBondContact O-N 3.18Å
153	K	67.1	Low	65.8	Low	114 Å²	114	71.7 Å²	71.7	50%	0.496	35%	0.354	S	S	.	.	H	α-helix	trans	-62.4	-41.8	178.9	-175.8	176.3	-178.7	174.9	0	111.7	Y149 Q150 K156 I157	Y149-K153 WeakPolarHBondContact O-CB 3.49Å; Y149-K153 PolarHBondContact O-N 3.23Å; Q150-K153 PolarHBondContact O-N 3.18Å; K153-K156 PolarHBondContact O-N 3.44Å; K153-I157 PolarHBondContact O-N 3.42Å
154	S	58.7	Low	63.9	Low	20 Å²	20	77.1 Å²	77.1	14%	0.14	38%	0.382	C	S	.	.	H	α-helix	trans	-64.5	-42	177.4	-166.5	0	0	0	0	112.1	Q150 A152 K156 I157 V358 K359	Q150-S154 PolarHBondContact O-N 3.32Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 2.6Å; S154-K156 PolarHBondContact O-N 3.17Å; S154-I157 PolarHBondContact O-N 2.98Å; S154-V358 PolarHBondContact OG-O 3.38Å; S154-K359 VanDerWaalsContact CB-O 3.24Å; S154-K359 WeakPolarHBondContact CB-O 3.42Å; S154-K359 VanDerWaalsContact OG-C 3.24Å; S154-K359 WeakPolarHBondContact OG-CA 3.22Å; S154-K359 PolarHBondContact OG-O 2.97Å
155	S	64.4	Low	61.7	Low	53 Å²	53	82.6 Å²	82.6	37%	0.371	42%	0.415	S	S	.	.	H	α-helix	trans	-62.7	-38.9	176.4	-60.2	0	0	0	0	113	E151 A152 I157 M158 E159	E151-S155 PolarHBondContact O-N 3.06Å; E151-S155 PolarHBondContact O-OG 2.86Å; A152-S155 PolarHBondContact O-N 2.87Å; S155-I157 PolarHBondContact O-N 3.14Å; S155-M158 WeakPolarHBondContact O-CB 2.99Å; S155-M158 PolarHBondContact O-N 2.94Å; S155-E159 PolarHBondContact O-N 3.35Å
156	K	63.8	Low	59.9	Low	150 Å²	150	85 Å²	85	65%	0.652	43%	0.43	S	S	*	.	H	α-helix	trans	-66.3	-33	179.9	-80.7	-176.1	177.2	-179.2	0	114.4	A152 K153 S154 M158 E159 S160	A152-K156 PolarHBondContact O-N 3.18Å; K153-K156 PolarHBondContact O-N 3.44Å; S154-K156 PolarHBondContact O-N 3.17Å; K156-M158 PolarHBondContact O-N 3.33Å; K156-E159 PolarHBondContact O-N 2.86Å; K156-S160 PolarHBondContact O-N 2.95Å
157	I	57.1	Low	59.5	Low	69 Å²	69	85.1 Å²	85.1	35%	0.354	43%	0.431	S	S	.	.	H	α-helix	trans	-61.2	-34.1	176.3	-66.4	172.3	0	0	0	109.8	K153 S154 S155 S160 F161 L357	K153-I157 PolarHBondContact O-N 3.42Å; S154-I157 PolarHBondContact O-N 2.98Å; S155-I157 PolarHBondContact O-N 3.14Å; I157-S160 PolarHBondContact O-N 3.44Å; I157-S160 PolarHBondContact O-OG 2.84Å; I157-F161 HydrophobicContact CG2-CE2 4.26Å; I157-F161 VanDerWaalsContact O-CD2 3.28Å; I157-F161 WeakPolarHBondContact O-CD2 3.36Å; I157-L357 HydrophobicContact CG2-CD2 4.09Å
158	M	55.5	Low	59.9	Low	26 Å²	26	91.3 Å²	91.3	13%	0.128	46%	0.458	C	S	.	.	H	α-helix	trans	-72.4	-33.3	178.3	-64.5	-68.9	97	0	0	113.9	S155 K156 S160 F161 L357 K359 I749	S155-M158 WeakPolarHBondContact O-CB 2.99Å; S155-M158 PolarHBondContact O-N 2.94Å; K156-M158 PolarHBondContact O-N 3.33Å; M158-S160 PolarHBondContact O-N 2.8Å; M158-F161 HydrophobicContact CE-CD2 3.85Å; M158-F161 HydrophobicContact CE-CE2 3.74Å; M158-F161 PolarHBondContact O-N 2.82Å; M158-F161 VanDerWaalsContact O-N 3.16Å; M158-L357 HydrophobicContact CE-CD2 3.81Å; M158-K359 HydrophobicContact CG-CD 4.1Å; M158-K359 HydrophobicContact CG-CG 4.16Å; M158-K359 HydrophobicContact SD-CD 3.68Å; M158-K359 HydrophobicContact SD-CG 4.04Å; M158-I749 HydrophobicContact CE-CD1 3.58Å; M158-I749 HydrophobicContact SD-CD1 3.48Å; M158-I749 WeakPolarHBondContact SD-CD1 3.46Å
159	E	60.2	Low	60.3	Low	122 Å²	122	88.9 Å²	88.9	57%	0.57	45%	0.45	S	S	*	.	H	α-helix	trans	-64	-28.9	175.2	-72	-176.1	159.8	0	0	112.2	S155 K156 F161 K162	S155-E159 PolarHBondContact O-N 3.35Å; K156-E159 PolarHBondContact O-N 2.86Å; E159-F161 PolarHBondContact O-N 2.94Å; E159-K162 WeakPolarHBondContact O-CB 3.29Å; E159-K162 PolarHBondContact O-N 3.02Å
160	S	49.8	Very low	61	Low	80 Å²	80	84 Å²	84	56%	0.559	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	176.4	75.6	0	0	0	0	114	K156 I157 M158	K156-S160 PolarHBondContact O-N 2.95Å; I157-S160 PolarHBondContact O-N 3.44Å; I157-S160 PolarHBondContact O-OG 2.84Å; M158-S160 PolarHBondContact O-N 2.8Å
161	F	45.7	Very low	62.2	Low	102 Å²	102	83 Å²	83	45%	0.447	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-11.7	174.7	-68	-84.9	0	0	0	113.7	I157 M158 E159 N163	I157-F161 HydrophobicContact CG2-CE2 4.26Å; I157-F161 VanDerWaalsContact O-CD2 3.28Å; I157-F161 WeakPolarHBondContact O-CD2 3.36Å; M158-F161 HydrophobicContact CE-CD2 3.85Å; M158-F161 HydrophobicContact CE-CE2 3.74Å; M158-F161 PolarHBondContact O-N 2.82Å; M158-F161 VanDerWaalsContact O-N 3.16Å; E159-F161 PolarHBondContact O-N 2.94Å; F161-N163 PolarHBondContact O-N 3.35Å
162	K	48.9	Very low	63.4	Low	131 Å²	131	79.4 Å²	79.4	57%	0.57	41%	0.413	S	S	*	.			trans	-75.9	-1.7	-175.5	-82.9	-174.1	173.3	-180	0	115.1	E159 L164	E159-K162 WeakPolarHBondContact O-CB 3.29Å; E159-K162 PolarHBondContact O-N 3.02Å; K162-L164 PolarHBondContact O-N 2.79Å
163	N	35.2	Very low	64.5	Low	142 Å²	142	80 Å²	80	76%	0.759	41%	0.411	S	S	*	.			trans	-89.6	87.9	-176.9	-69.5	-28.7	0	0	0	110.7	F161	F161-N163 PolarHBondContact O-N 3.35Å
164	L	40.6	Very low	65.7	Low	131 Å²	131	78.1 Å²	78.1	69%	0.686	41%	0.407	S	S	*	.			trans	-128.7	152.1	169.1	-83.8	169.5	0	0	0	112.9	K162	K162-L164 PolarHBondContact O-N 2.79Å
165	V	38.6	Very low	67.1	Low	115 Å²	115	79.1 Å²	79.1	70%	0.697	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-60.1	134.2	-160.6	179.9	0	0	0	0	112.7	Q167	V165-Q167 PolarHBondContact O-N 3.31Å
166	P	47.8	Very low	68.4	Low	109 Å²	109	82.1 Å²	82.1	71%	0.708	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-59.2	126.3	172.8	23.1	-31.6	0	0	0	110.3
167	Q	70.1	Confident	69.7	Low	82 Å²	82	80.3 Å²	80.3	38%	0.383	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-90.9	136.4	-177.1	-60.7	-162.7	-22.7	0	0	110.9	V165 N181 A182	V165-Q167 PolarHBondContact O-N 3.31Å; Q167-N181 PolarHBondContact O-OD1 2.85Å; Q167-A182 HydrophobicContact CB-CB 4.43Å; Q167-A182 WeakPolarHBondContact O-CB 3.29Å; Q167-A182 PolarHBondContact O-N 3.11Å
168	Q	85.8	Confident	71.3	Confident	147 Å²	147	80.9 Å²	80.9	69%	0.687	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98	151.3	171.5	-64.1	-162.9	-14.2	0	0	110.7	S179 I180	Q168-S179 PolarHBondContact OE1-OG 2.94Å; Q168-I180 CarbonylContact C-O 3.48Å; Q168-I180 VanDerWaalsContact CA-O 3.27Å; Q168-I180 WeakPolarHBondContact CA-O 3.32Å
169	A	90.4	Very high	73	Confident	5 Å²	5	83 Å²	83	4%	0.041	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	138.9	175.7	0	0	0	0	0	110.4	V171 S179 I180 V185 P200	A169-V171 HydrophobicContact CB-CG1 4.49Å; A169-S179 WeakPolarHBondContact O-CA 3.46Å; A169-I180 PolarHBondContact N-O 3.17Å; A169-I180 PolarHBondContact O-N 3.42Å; A169-V185 HydrophobicContact CB-CG2 3.69Å; A169-P200 HydrophobicContact CB-CB 3.7Å; A169-P200 HydrophobicContact CB-CG 3.93Å
170	L	93.4	Very high	74.5	Confident	47 Å²	47	78.6 Å²	78.6	25%	0.246	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	107.4	175.2	-174.3	67	0	0	0	109.9	K177 E192	L170-K177 HydrophobicContact CD1-CB 4.19Å; L170-E192 HydrophobicContact CD2-CB 4.18Å; L170-E192 HydrophobicContact CD2-CG 4.46Å; L170-E192 HydrophobicContact CG-CB 4.47Å; L170-E192 PolarHBondContact O-N 2.67Å
171	V	94.9	Very high	76.5	Confident	0 Å²	0	77.6 Å²	77.6	0%	0	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	153.5	-179.2	-54.3	0	0	0	0	111.7	A169 R173 K177 K178 I180 V185 L190 V191	A169-V171 HydrophobicContact CB-CG1 4.49Å; V171-R173 HydrophobicContact CG2-CG 4.12Å; V171-K177 CarbonylContact O-C 3.56Å; V171-K177 WeakPolarHBondContact O-CA 3.33Å; V171-K178 PolarHBondContact N-O 3.47Å; V171-K178 PolarHBondContact O-N 2.81Å; V171-I180 HydrophobicContact CB-CD1 4.34Å; V171-I180 HydrophobicContact CG1-CD1 3.77Å; V171-I180 HydrophobicContact CG1-CG1 3.97Å; V171-I180 HydrophobicContact CG2-CD1 3.6Å; V171-I180 HydrophobicContact CG2-CG1 3.84Å; V171-I180 HydrophobicContact CG2-CG2 4.24Å; V171-V185 HydrophobicContact CG1-CG2 4.15Å; V171-L190 CarbonylContact C-O 3.49Å; V171-L190 WeakPolarHBondContact CA-O 3.49Å; V171-V191 HydrophobicContact CG1-CG2 4.18Å
172	V	93.8	Very high	78.6	Confident	6 Å²	6	73.4 Å²	73.4	4%	0.036	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.5	170.3	-173.3	0	0	0	0	108	G62 E176 K177 L190	G62-V172 WeakPolarHBondContact CA-O 3.38Å; V172-E176 WeakPolarHBondContact CA-O 3.42Å; V172-K177 HydrophobicContact CG2-CG 4.17Å; V172-L190 HydrophobicContact CB-CB 4.16Å; V172-L190 HydrophobicContact CB-CD2 3.94Å; V172-L190 HydrophobicContact CB-CG 4.07Å; V172-L190 HydrophobicContact CG1-CD2 4.25Å; V172-L190 HydrophobicContact CG2-CD2 4.22Å; V172-L190 HydrophobicContact CG2-CG 4.24Å; V172-L190 PolarHBondContact N-O 3.47Å
173	R	93.7	Very high	80.6	Confident	29 Å²	29	71.9 Å²	71.9	11%	0.109	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137.8	174.8	-68.4	-179.8	179.7	164.8	1	109.3	L63 A68 V171 G175 E176 D184 D189	L63-R173 CarbonylContact O-C 3.24Å; L63-R173 WeakPolarHBondContact O-CA 3.44Å; L63-R173 WeakPolarHBondContact O-CB 3.4Å; A68-R173 VanDerWaalsContact CB-CZ 3.5Å; V171-R173 HydrophobicContact CG2-CG 4.12Å; R173-G175 PolarHBondContact O-N 2.78Å; R173-G175 VanDerWaalsContact O-N 3.13Å; R173-E176 PolarHBondContact N-O 2.68Å; R173-E176 PolarHBondContact O-N 3.27Å; R173-D184 PolarHBondContact NH2-O 3.42Å; R173-D189 IonicContact CZ-OD1 3.32Å; R173-D189 IonicContact CZ-OD2 2.73Å; R173-D189 IonicContact NE-OD1 2.74Å; R173-D189 PolarHBondContact NE-OD1 2.96Å; R173-D189 IonicContact NE-OD2 3.67Å; R173-D189 IonicContact NH2-OD1 3.97Å; R173-D189 IonicContact NH2-OD2 3.68Å; R173-D189 PolarHBondContact NH2-OD2 2.74Å
174	D	91.4	Very high	83.3	Confident	75 Å²	75	68.4 Å²	68.4	40%	0.401	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	22.5	-174.4	-59.8	-61.3	0	0	0	114.3	R61 L63 S64 A65	R61-D174 PolarHBondContact O-N 3.3Å; L63-D174 PolarHBondContact O-N 3.07Å; S64-D174 VanDerWaalsContact CA-OD1 3.22Å; S64-D174 WeakPolarHBondContact CA-OD1 3.42Å; S64-D174 WeakPolarHBondContact CB-OD1 3.21Å; A65-D174 VanDerWaalsContact CB-OD2 3.31Å; A65-D174 WeakPolarHBondContact CB-OD2 3.47Å; A65-D174 PolarHBondContact N-OD2 3.04Å
175	G	88.1	Confident	85.9	Confident	41 Å²	41	62.2 Å²	62.2	42%	0.423	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	2.5	-175.7	0	0	0	0	0	115.5	R61 R173	R61-G175 PolarHBondContact O-N 3.26Å; R173-G175 PolarHBondContact O-N 2.78Å; R173-G175 VanDerWaalsContact O-N 3.13Å
176	E	90.6	Very high	88.6	Confident	115 Å²	115	56.8 Å²	56.8	54%	0.537	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	139.7	-179.9	-66.6	179.1	162.5	0	0	111.6	V172 R173 K178	V172-E176 WeakPolarHBondContact CA-O 3.42Å; R173-E176 PolarHBondContact N-O 2.68Å; R173-E176 PolarHBondContact O-N 3.27Å; E176-K178 WeakPolarHBondContact OE2-CE 3.43Å; E176-K178 IonicContact OE2-NZ 3.98Å; E176-K178 PolarHBondContact OE2-NZ 3.22Å
177	K	91.6	Very high	90.9	Very high	113 Å²	113	52.4 Å²	52.4	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	124.9	172	-64.3	-176.6	-176.6	-171.6	0	109.9	L170 V171 V172 E192	L170-K177 HydrophobicContact CD1-CB 4.19Å; V171-K177 CarbonylContact O-C 3.56Å; V171-K177 WeakPolarHBondContact O-CA 3.33Å; V172-K177 HydrophobicContact CG2-CG 4.17Å; K177-E192 WeakPolarHBondContact CE-OE1 3.38Å; K177-E192 WeakPolarHBondContact CE-OE2 3.44Å; K177-E192 IonicContact NZ-OE1 2.7Å; K177-E192 PolarHBondContact NZ-OE1 2.84Å; K177-E192 IonicContact NZ-OE2 3.23Å; K177-E192 PolarHBondContact NZ-OE2 2.93Å
178	K	90.5	Very high	92	Very high	81 Å²	81	48.5 Å²	48.5	35%	0.352	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.9	179.8	-66.3	178.6	179.9	162.7	0	109.8	V171 E176 I180	V171-K178 PolarHBondContact N-O 3.47Å; V171-K178 PolarHBondContact O-N 2.81Å; E176-K178 WeakPolarHBondContact OE2-CE 3.43Å; E176-K178 IonicContact OE2-NZ 3.98Å; E176-K178 PolarHBondContact OE2-NZ 3.22Å; K178-I180 HydrophobicContact CB-CG2 4.33Å
179	S	90.9	Very high	92.4	Very high	70 Å²	70	41.5 Å²	41.5	49%	0.49	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	117.8	168.8	-162.6	0	0	0	0	108.3	Q168 A169	Q168-S179 PolarHBondContact OE1-OG 2.94Å; A169-S179 WeakPolarHBondContact O-CA 3.46Å
180	I	92.7	Very high	92.7	Very high	29 Å²	29	41.2 Å²	41.2	15%	0.149	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	167.3	180	63.2	169.2	0	0	0	110.2	Q168 A169 V171 K178 D184 V185	Q168-I180 CarbonylContact C-O 3.48Å; Q168-I180 VanDerWaalsContact CA-O 3.27Å; Q168-I180 WeakPolarHBondContact CA-O 3.32Å; A169-I180 PolarHBondContact N-O 3.17Å; A169-I180 PolarHBondContact O-N 3.42Å; V171-I180 HydrophobicContact CB-CD1 4.34Å; V171-I180 HydrophobicContact CG1-CD1 3.77Å; V171-I180 HydrophobicContact CG1-CG1 3.97Å; V171-I180 HydrophobicContact CG2-CD1 3.6Å; V171-I180 HydrophobicContact CG2-CG1 3.84Å; V171-I180 HydrophobicContact CG2-CG2 4.24Å; K178-I180 HydrophobicContact CB-CG2 4.33Å; I180-D184 HydrophobicContact CD1-CB 4.07Å; I180-V185 HydrophobicContact CD1-CG2 4.09Å; I180-V185 HydrophobicContact CG1-CG2 4.44Å
181	N	91.5	Very high	92.8	Very high	59 Å²	59	39 Å²	39	32%	0.316	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	138.6	169.8	-169.7	-10.3	0	0	0	109.2	Q167 E183 D184	Q167-N181 PolarHBondContact O-OD1 2.85Å; N181-E183 PolarHBondContact O-N 3.47Å; N181-E183 VanDerWaalsContact O-N 3.17Å; N181-E183 PolarHBondContact OD1-N 2.96Å; N181-D184 WeakPolarHBondContact O-CB 3.34Å; N181-D184 PolarHBondContact O-N 3.22Å
182	A	89.5	Confident	92.8	Very high	15 Å²	15	40.1 Å²	40.1	12%	0.124	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-57.6	-28.4	177.4	0	0	0	0	0	112.5	N78 Q167 D184 V185	N78-A182 WeakPolarHBondContact CB-O 3.39Å; N78-A182 PolarHBondContact ND2-O 3.43Å; Q167-A182 HydrophobicContact CB-CB 4.43Å; Q167-A182 WeakPolarHBondContact O-CB 3.29Å; Q167-A182 PolarHBondContact O-N 3.11Å; A182-D184 VanDerWaalsContact C-N 3.25Å; A182-D184 PolarHBondContact O-N 2.89Å; A182-V185 WeakPolarHBondContact O-CB 3.3Å; A182-V185 WeakPolarHBondContact O-CG2 3.13Å; A182-V185 PolarHBondContact O-N 3.32Å
183	E	90.8	Very high	92.8	Very high	99 Å²	99	40.1 Å²	40.1	46%	0.463	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-65.5	-24.6	175.5	-60.6	-177.5	167.5	0	0	113.5	P77 N78 A79 N181 V185	P77-E183 CarbonylContact C-O 3.57Å; P77-E183 WeakPolarHBondContact CA-O 3.47Å; P77-E183 HydrophobicContact CB-CB 4.34Å; N78-E183 PolarHBondContact N-O 2.95Å; A79-E183 HydrophobicContact CB-CG 4.31Å; N181-E183 PolarHBondContact O-N 3.47Å; N181-E183 VanDerWaalsContact O-N 3.17Å; N181-E183 PolarHBondContact OD1-N 2.96Å; E183-V185 VanDerWaalsContact C-N 3.35Å
184	D	93.4	Very high	92.6	Very high	69 Å²	69	44.4 Å²	44.4	37%	0.369	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-89.1	-0.1	-178.7	-66.2	-37	0	0	0	113.1	R173 I180 N181 A182	R173-D184 PolarHBondContact NH2-O 3.42Å; I180-D184 HydrophobicContact CD1-CB 4.07Å; N181-D184 WeakPolarHBondContact O-CB 3.34Å; N181-D184 PolarHBondContact O-N 3.22Å; A182-D184 VanDerWaalsContact C-N 3.25Å; A182-D184 PolarHBondContact O-N 2.89Å
185	V	94.4	Very high	92.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.233	C	C	.	.			trans	-73.4	136.3	176.7	175.5	0	0	0	0	109.5	N78 A169 V171 I180 A182 E183 V191 A201 V258	N78-V185 HydrophobicContact CB-CB 4.31Å; N78-V185 VanDerWaalsContact CB-O 3.22Å; N78-V185 WeakPolarHBondContact CB-O 3.34Å; A169-V185 HydrophobicContact CB-CG2 3.69Å; V171-V185 HydrophobicContact CG1-CG2 4.15Å; I180-V185 HydrophobicContact CD1-CG2 4.09Å; I180-V185 HydrophobicContact CG1-CG2 4.44Å; A182-V185 WeakPolarHBondContact O-CB 3.3Å; A182-V185 WeakPolarHBondContact O-CG2 3.13Å; A182-V185 PolarHBondContact O-N 3.32Å; E183-V185 VanDerWaalsContact C-N 3.35Å; V185-V191 HydrophobicContact CG1-CG2 4.48Å; V185-A201 HydrophobicContact CG1-CB 4.29Å; V185-V258 HydrophobicContact CG1-CG1 4.48Å; V185-V258 HydrophobicContact CG1-CG2 3.68Å
186	V	95.8	Very high	91.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.012	24%	0.242	C	C	.	.			trans	-127.8	159.9	-177.3	-63.1	0	0	0	0	112.8	L63 A68 I71 L72 G188 D189 V258	L63-V186 HydrophobicContact CD1-CG2 4.03Å; A68-V186 HydrophobicContact CB-CG2 4.01Å; I71-V186 HydrophobicContact CB-CB 4.1Å; I71-V186 HydrophobicContact CB-CG1 4.36Å; I71-V186 HydrophobicContact CB-CG2 4.16Å; I71-V186 HydrophobicContact CD1-CG2 4.48Å; I71-V186 HydrophobicContact CG2-CB 3.71Å; I71-V186 HydrophobicContact CG2-CG1 4.2Å; I71-V186 HydrophobicContact CG2-CG2 4.2Å; L72-V186 HydrophobicContact CB-CG1 3.71Å; L72-V186 HydrophobicContact CD1-CG1 3.91Å; L72-V186 HydrophobicContact CG-CG1 4.42Å; V186-G188 PolarHBondContact O-N 3.37Å; V186-D189 VanDerWaalsContact CG2-OD2 3.31Å; V186-D189 WeakPolarHBondContact CG2-OD2 3.33Å; V186-D189 PolarHBondContact N-OD2 2.92Å; V186-D189 WeakPolarHBondContact O-CB 3.34Å; V186-D189 PolarHBondContact O-N 2.9Å; V186-D189 VanDerWaalsContact O-N 3.09Å; V186-V258 WeakPolarHBondContact O-CB 3.3Å
187	A	94.8	Very high	91.4	Very high	16 Å²	16	40.4 Å²	40.4	13%	0.132	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	132.6	174.8	0	0	0	0	0	111	Y55	Y55-A187 HydrophobicContact CE1-CB 4.47Å
188	G	93.9	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.2	-10.6	-173.5	0	0	0	0	0	115.2	T57 L63 V186 V258	T57-G188 WeakPolarHBondContact CB-O 3.39Å; T57-G188 VanDerWaalsContact CG2-O 3.28Å; T57-G188 WeakPolarHBondContact CG2-O 3.26Å; T57-G188 PolarHBondContact OG1-O 3.12Å; L63-G188 WeakPolarHBondContact CG-O 3.35Å; V186-G188 PolarHBondContact O-N 3.37Å; G188-V258 PolarHBondContact N-O 2.86Å
189	D	95.1	Very high	91.2	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.207	C	C	.	.			trans	-61.5	146.7	174.3	-86.2	-35.5	0	0	0	111.4	R173 V186 V191 I257 V258	R173-D189 IonicContact CZ-OD1 3.32Å; R173-D189 IonicContact CZ-OD2 2.73Å; R173-D189 IonicContact NE-OD1 2.74Å; R173-D189 PolarHBondContact NE-OD1 2.96Å; R173-D189 IonicContact NE-OD2 3.67Å; R173-D189 IonicContact NH2-OD1 3.97Å; R173-D189 IonicContact NH2-OD2 3.68Å; R173-D189 PolarHBondContact NH2-OD2 2.74Å; V186-D189 VanDerWaalsContact CG2-OD2 3.31Å; V186-D189 WeakPolarHBondContact CG2-OD2 3.33Å; V186-D189 PolarHBondContact N-OD2 2.92Å; V186-D189 WeakPolarHBondContact O-CB 3.34Å; V186-D189 PolarHBondContact O-N 2.9Å; V186-D189 VanDerWaalsContact O-N 3.09Å; D189-V191 HydrophobicContact CB-CG2 4.46Å; D189-I257 CarbonylContact O-C 3.47Å; D189-I257 WeakPolarHBondContact O-CA 3.24Å; D189-V258 HydrophobicContact CB-CG2 3.91Å; D189-V258 PolarHBondContact O-N 3.24Å
190	L	96	Very high	91.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	116.5	168.9	178.7	60.1	0	0	0	108.7	L59 V171 V172 I206 R255	L59-L190 WeakPolarHBondContact O-CD2 3.47Å; V171-L190 CarbonylContact C-O 3.49Å; V171-L190 WeakPolarHBondContact CA-O 3.49Å; V172-L190 HydrophobicContact CB-CB 4.16Å; V172-L190 HydrophobicContact CB-CD2 3.94Å; V172-L190 HydrophobicContact CB-CG 4.07Å; V172-L190 HydrophobicContact CG1-CD2 4.25Å; V172-L190 HydrophobicContact CG2-CD2 4.22Å; V172-L190 HydrophobicContact CG2-CG 4.24Å; V172-L190 PolarHBondContact N-O 3.47Å; L190-I206 HydrophobicContact CD1-CD1 3.62Å; L190-I206 HydrophobicContact CD1-CG1 4.37Å; L190-R255 HydrophobicContact CD1-CB 4.25Å
191	V	95.7	Very high	91.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	139.4	-176.9	-178.5	0	0	0	0	109.5	V171 V185 D189 V193 P200 L203 R255 G256 V258	V171-V191 HydrophobicContact CG1-CG2 4.18Å; V185-V191 HydrophobicContact CG1-CG2 4.48Å; D189-V191 HydrophobicContact CB-CG2 4.46Å; V191-V193 HydrophobicContact CG1-CG1 4.12Å; V191-P200 HydrophobicContact CG1-CG 3.71Å; V191-L203 HydrophobicContact CB-CD1 4.05Å; V191-L203 HydrophobicContact CB-CD2 4Å; V191-L203 HydrophobicContact CG1-CD1 4.05Å; V191-L203 HydrophobicContact CG2-CD2 3.9Å; V191-R255 VanDerWaalsContact O-CA 3.28Å; V191-R255 WeakPolarHBondContact O-CA 3.49Å; V191-G256 PolarHBondContact N-O 3.05Å; V191-G256 PolarHBondContact O-N 2.98Å; V191-V258 HydrophobicContact CG2-CG2 3.49Å; V191-V258 VanDerWaalsContact CG2-CG2 3.49Å
192	E	94.6	Very high	91.3	Very high	24 Å²	24	28.7 Å²	28.7	11%	0.112	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	132.2	171.4	-170.6	173.9	109.5	0	0	109.6	L170 K177 A254 R255	L170-E192 HydrophobicContact CD2-CB 4.18Å; L170-E192 HydrophobicContact CD2-CG 4.46Å; L170-E192 HydrophobicContact CG-CB 4.47Å; L170-E192 PolarHBondContact O-N 2.67Å; K177-E192 WeakPolarHBondContact CE-OE1 3.38Å; K177-E192 WeakPolarHBondContact CE-OE2 3.44Å; K177-E192 IonicContact NZ-OE1 2.7Å; K177-E192 PolarHBondContact NZ-OE1 2.84Å; K177-E192 IonicContact NZ-OE2 3.23Å; K177-E192 PolarHBondContact NZ-OE2 2.93Å; E192-A254 WeakPolarHBondContact CA-O 3.31Å; E192-R255 HydrophobicContact CB-CG 4.26Å; E192-R255 HydrophobicContact CG-CG 4.07Å; E192-R255 IonicContact OE2-CZ 3.23Å; E192-R255 VanDerWaalsContact OE2-CZ 3.26Å; E192-R255 IonicContact OE2-NE 2.95Å; E192-R255 PolarHBondContact OE2-NE 2.9Å; E192-R255 IonicContact OE2-NH2 2.77Å; E192-R255 PolarHBondContact OE2-NH2 3.34Å
193	V	93.3	Very high	91.6	Very high	5 Å²	5	28 Å²	28	3%	0.03	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	146.7	177.6	-62.5	0	0	0	0	109.9	V191 I199 L203 T253 A254	V191-V193 HydrophobicContact CG1-CG1 4.12Å; V193-I199 HydrophobicContact CB-CD1 4.03Å; V193-I199 HydrophobicContact CG1-CD1 3.78Å; V193-I199 HydrophobicContact CG2-CD1 3.88Å; V193-L203 HydrophobicContact CG1-CD1 4.3Å; V193-T253 VanDerWaalsContact O-CA 3.29Å; V193-T253 WeakPolarHBondContact O-CA 3.41Å; V193-T253 PolarHBondContact O-OG1 3.49Å; V193-A254 HydrophobicContact CG2-CB 3.98Å; V193-A254 PolarHBondContact N-O 2.77Å; V193-A254 PolarHBondContact O-N 2.93Å
194	K	89.5	Confident	91.8	Very high	119 Å²	119	23.8 Å²	23.8	52%	0.517	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	161.2	175.8	53.8	169.1	-175.9	179.8	0	110.1	G196 D197 C249 G252	K194-G196 PolarHBondContact O-N 2.84Å; K194-D197 WeakPolarHBondContact CE-OD1 3.25Å; K194-D197 VanDerWaalsContact CE-OD2 3.26Å; K194-D197 WeakPolarHBondContact CE-OD2 3.49Å; K194-D197 HydrophobicContact CG-CB 4.49Å; K194-D197 WeakPolarHBondContact CG-OD2 3.4Å; K194-D197 WeakPolarHBondContact O-CB 3.27Å; K194-D197 PolarHBondContact O-N 2.83Å; K194-C249 VanDerWaalsContact C-SG 3.54Å; K194-C249 WeakPolarHBondContact O-CB 3.38Å; K194-G252 CarbonylContact C-O 3.6Å; K194-G252 WeakPolarHBondContact CA-O 3.27Å
195	G	82.9	Confident	92	Very high	36 Å²	36	20.5 Å²	20.5	37%	0.371	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	126.5	174.2	0	0	0	0	0	112.2	G252	G195-G252 PolarHBondContact N-O 3Å
196	G	79.1	Confident	92	Very high	60 Å²	60	21.6 Å²	21.6	62%	0.619	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.4	-21	-173.7	0	0	0	0	0	114.5	K194 C249	K194-G196 PolarHBondContact O-N 2.84Å; G196-C249 PolarHBondContact N-O 2.93Å
197	D	84.2	Confident	92	Very high	51 Å²	51	23.8 Å²	23.8	27%	0.273	14%	0.142	S	C	.	.	P	Polyproline II helix	trans	-83.1	145.8	-179.5	-65.2	-6.6	0	0	0	111.3	K194 C249	K194-D197 WeakPolarHBondContact CE-OD1 3.25Å; K194-D197 VanDerWaalsContact CE-OD2 3.26Å; K194-D197 WeakPolarHBondContact CE-OD2 3.49Å; K194-D197 HydrophobicContact CG-CB 4.49Å; K194-D197 WeakPolarHBondContact CG-OD2 3.4Å; K194-D197 WeakPolarHBondContact O-CB 3.27Å; K194-D197 PolarHBondContact O-N 2.83Å; D197-C249 PolarHBondContact O-N 3.22Å
198	R	85.5	Confident	92	Very high	99 Å²	99	24 Å²	24	37%	0.374	14%	0.144	S	C	.	.	B	Isolated β-bridge	trans	-84.8	142.4	170.5	-159.7	174.2	-170.2	-169.8	2.1	110.1	P200 S246 T247 N248	R198-P200 WeakPolarHBondContact O-CD 3.48Å; R198-S246 PolarHBondContact NE-O 2.79Å; R198-S246 PolarHBondContact NH2-OG 2.48Å; R198-T247 VanDerWaalsContact CG-O 3.23Å; R198-T247 WeakPolarHBondContact CG-O 3.35Å; R198-N248 WeakPolarHBondContact CG-OD1 3.5Å
199	I	91.5	Very high	91.8	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-72.3	118.7	178.7	-55.5	-54.8	0	0	0	109	V193 A201 L203 V213 A243 F244 S246 T247 C249	V193-I199 HydrophobicContact CB-CD1 4.03Å; V193-I199 HydrophobicContact CG1-CD1 3.78Å; V193-I199 HydrophobicContact CG2-CD1 3.88Å; I199-A201 WeakPolarHBondContact CG2-O 3.4Å; I199-L203 HydrophobicContact CG2-CD1 3.98Å; I199-L203 HydrophobicContact CG2-CG 4.07Å; I199-V213 HydrophobicContact CD1-CG1 4.41Å; I199-A243 HydrophobicContact CD1-CB 4.33Å; I199-A243 HydrophobicContact CG1-CB 4.3Å; I199-A243 HydrophobicContact CG2-CB 4.13Å; I199-F244 VanDerWaalsContact CB-O 3.25Å; I199-F244 WeakPolarHBondContact CB-O 3.4Å; I199-F244 VanDerWaalsContact CG2-O 3.29Å; I199-F244 WeakPolarHBondContact CG2-O 3.38Å; I199-S246 PolarHBondContact O-N 3.45Å; I199-T247 WeakPolarHBondContact CB-O 3.46Å; I199-T247 WeakPolarHBondContact CG1-O 3.29Å; I199-T247 WeakPolarHBondContact CG1-OG1 3.27Å; I199-T247 PolarHBondContact N-O 2.93Å; I199-C249 HydrophobicContact CD1-CB 4.29Å
200	P	91.1	Very high	91.2	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.045	20%	0.202	C	C	.	.			trans	-80.5	-19.5	-167.3	30.6	-36.1	0	0	0	114.7	N78 A169 V191 R198 F245	N78-P200 PolarHBondContact ND2-O 3.41Å; A169-P200 HydrophobicContact CB-CB 3.7Å; A169-P200 HydrophobicContact CB-CG 3.93Å; V191-P200 HydrophobicContact CG1-CG 3.71Å; R198-P200 WeakPolarHBondContact O-CD 3.48Å; P200-F245 VanDerWaalsContact O-CD2 3.29Å; P200-F245 WeakPolarHBondContact O-CD2 3.3Å
201	A	92	Very high	90.9	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-159	175.2	-179.9	0	0	0	0	0	109	V185 I199 L203 V258 T261	V185-A201 HydrophobicContact CG1-CB 4.29Å; I199-A201 WeakPolarHBondContact CG2-O 3.4Å; A201-L203 WeakPolarHBondContact O-CG 3Å; A201-L203 PolarHBondContact O-N 2.85Å; A201-V258 HydrophobicContact CB-CG1 3.72Å; A201-V258 HydrophobicContact CB-CG2 4.4Å; A201-T261 HydrophobicContact CB-CG2 4.45Å
202	D	93.8	Very high	90.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	125	171.8	-68.1	-16.2	0	0	0	109.2	A243 F244 F245 V258 I259 N260 T265 V266	D202-A243 CarbonylContact C-O 3.58Å; D202-A243 WeakPolarHBondContact CA-O 3.25Å; D202-F244 WeakPolarHBondContact OD1-CA 3.22Å; D202-F245 PolarHBondContact OD1-N 2.8Å; D202-V258 WeakPolarHBondContact O-CA 3.41Å; D202-I259 HydrophobicContact CB-CD1 4.37Å; D202-I259 HydrophobicContact CB-CG1 3.87Å; D202-I259 WeakPolarHBondContact O-CG1 3.49Å; D202-I259 PolarHBondContact O-N 3Å; D202-N260 HydrophobicContact CB-CB 4.12Å; D202-N260 PolarHBondContact N-O 3.38Å; D202-T265 HydrophobicContact CB-CG2 4.47Å; D202-T265 WeakPolarHBondContact OD2-CA 3.32Å; D202-T265 WeakPolarHBondContact OD2-CB 3.32Å; D202-V266 PolarHBondContact OD2-N 2.98Å
203	L	95.3	Very high	90.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	136	-174.2	-53	-178.3	0	0	0	111.3	V191 V193 I199 A201 I205 I242 A243 I257 V258	V191-L203 HydrophobicContact CB-CD1 4.05Å; V191-L203 HydrophobicContact CB-CD2 4Å; V191-L203 HydrophobicContact CG1-CD1 4.05Å; V191-L203 HydrophobicContact CG2-CD2 3.9Å; V193-L203 HydrophobicContact CG1-CD1 4.3Å; I199-L203 HydrophobicContact CG2-CD1 3.98Å; I199-L203 HydrophobicContact CG2-CG 4.07Å; A201-L203 WeakPolarHBondContact O-CG 3Å; A201-L203 PolarHBondContact O-N 2.85Å; L203-I205 HydrophobicContact CB-CD1 4.47Å; L203-I242 CarbonylContact O-C 3.59Å; L203-I242 VanDerWaalsContact O-CA 3.27Å; L203-I242 WeakPolarHBondContact O-CA 3.24Å; L203-A243 HydrophobicContact CB-CB 4.42Å; L203-A243 PolarHBondContact N-O 3.2Å; L203-A243 PolarHBondContact O-N 3.22Å; L203-I257 CarbonylContact C-O 3.59Å; L203-I257 WeakPolarHBondContact CA-O 3.34Å; L203-V258 HydrophobicContact CD2-CB 4.24Å; L203-V258 HydrophobicContact CD2-CG2 3.59Å
204	R	96.2	Very high	89.8	Confident	10 Å²	10	36.7 Å²	36.7	4%	0.038	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	110.9	164.4	178.6	68.5	-171.7	82.9	6.1	109.2	L51 I206 P229 N241 G256 I257 I259	L51-R204 HydrophobicContact CD1-CG 4.14Å; L51-R204 HydrophobicContact CD2-CB 4.07Å; L51-R204 HydrophobicContact CD2-CG 3.46Å; L51-R204 VanDerWaalsContact CD2-CG 3.46Å; L51-R204 HydrophobicContact CG-CG 4.46Å; R204-I206 PolarHBondContact O-N 2.85Å; R204-P229 PolarHBondContact NH1-O 3.41Å; R204-P229 PolarHBondContact NH2-O 3.42Å; R204-N241 WeakPolarHBondContact CD-O 3.29Å; R204-N241 VanDerWaalsContact CZ-CG 3.43Å; R204-N241 PolarHBondContact NE-ND2 2.86Å; R204-N241 VanDerWaalsContact NH1-CG 3.3Å; R204-N241 PolarHBondContact NH1-ND2 2.67Å; R204-N241 PolarHBondContact NH1-O 2.9Å; R204-N241 PolarHBondContact NH2-ND2 3.42Å; R204-G256 CarbonylContact O-C 3.58Å; R204-G256 WeakPolarHBondContact O-CA 3.47Å; R204-I257 PolarHBondContact N-O 2.63Å; R204-I257 PolarHBondContact O-N 2.8Å; R204-I259 HydrophobicContact CB-CG2 3.62Å
205	I	96.6	Very high	89.6	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	122.7	-175.1	-55.8	-58.1	0	0	0	111	L203 A208 R227 P229 N241 A243 A254	L203-I205 HydrophobicContact CB-CD1 4.47Å; I205-A208 HydrophobicContact CG2-CB 3.95Å; I205-R227 HydrophobicContact CG1-CB 4.43Å; I205-P229 WeakPolarHBondContact O-CA 3.43Å; I205-N241 PolarHBondContact N-O 3.32Å; I205-A243 HydrophobicContact CD1-CB 3.93Å; I205-A243 HydrophobicContact CG1-CB 4.48Å; I205-A254 HydrophobicContact CD1-CB 4.23Å; I205-A254 HydrophobicContact CG2-CB 4.46Å
206	I	95.9	Very high	89.2	Confident	22 Å²	22	30.5 Å²	30.5	11%	0.113	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	-22.3	178.9	65.5	170.7	0	0	0	112.5	L48 L51 L59 L190 R204 P229 R255 I257	L48-I206 HydrophobicContact CD2-CB 3.93Å; L48-I206 HydrophobicContact CD2-CG2 3.58Å; L51-I206 HydrophobicContact CD2-CG2 4.32Å; L59-I206 HydrophobicContact CB-CD1 4.34Å; L59-I206 HydrophobicContact CD2-CD1 3.91Å; L59-I206 HydrophobicContact CD2-CG2 4.19Å; L59-I206 WeakPolarHBondContact O-CD1 3.28Å; L190-I206 HydrophobicContact CD1-CD1 3.62Å; L190-I206 HydrophobicContact CD1-CG1 4.37Å; R204-I206 PolarHBondContact O-N 2.85Å; I206-P229 WeakPolarHBondContact O-CB 3.21Å; I206-P229 WeakPolarHBondContact O-CG 3.26Å; I206-R255 HydrophobicContact CG1-CB 4.29Å; I206-R255 WeakPolarHBondContact CG1-O 3.33Å; I206-R255 PolarHBondContact N-O 2.78Å; I206-I257 HydrophobicContact CG2-CD1 4.23Å; I206-I257 HydrophobicContact CG2-CG1 4.36Å
207	S	94.4	Very high	88.8	Confident	49 Å²	49	28.9 Å²	28.9	34%	0.343	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	138.4	175.9	177.1	0	0	0	0	109.1	A254 R255	S207-A254 CarbonylContact O-C 3.43Å; S207-A254 WeakPolarHBondContact O-CA 3.4Å; S207-R255 PolarHBondContact N-O 2.81Å; S207-R255 PolarHBondContact O-N 3.08Å
208	A	94.4	Very high	88.5	Confident	21 Å²	21	27 Å²	27	17%	0.174	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	140.5	177.8	0	0	0	0	0	110.8	I205 C211 R227 T253 A254	I205-A208 HydrophobicContact CG2-CB 3.95Å; A208-C211 HydrophobicContact CB-CB 4.01Å; A208-R227 WeakPolarHBondContact CB-O 3.31Å; A208-T253 WeakPolarHBondContact CA-O 3.42Å; A208-A254 HydrophobicContact CB-CB 4.01Å
209	H	89.7	Confident	88.1	Confident	135 Å²	135	23.6 Å²	23.6	63%	0.625	14%	0.144	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.5	104.6	174.2	-71.5	-63.8	0	0	0	109.3	C211 G252 T253	H209-C211 PolarHBondContact O-N 2.95Å; H209-C211 VanDerWaalsContact O-N 3.08Å; H209-G252 WeakPolarHBondContact O-CA 3.05Å; H209-T253 HydrophobicContact CB-CG2 4.03Å; H209-T253 PolarHBondContact N-O 2.77Å; H209-T253 PolarHBondContact O-N 3.19Å; H209-T253 VanDerWaalsContact O-N 3.07Å
210	G	84.2	Confident	87	Confident	59 Å²	59	23.7 Å²	23.7	61%	0.608	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	57.7	22.7	-179.6	0	0	0	0	0	114	K212 G252	G210-K212 PolarHBondContact O-N 2.85Å; G210-G252 WeakPolarHBondContact O-CA 3.44Å
211	C	89	Confident	86.2	Confident	2 Å²	2	24.3 Å²	24.3	1%	0.014	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	127.3	-173.9	-174.6	0	0	0	0	111	A208 H209 R227 E251 A254	A208-C211 HydrophobicContact CB-CB 4.01Å; H209-C211 PolarHBondContact O-N 2.95Å; H209-C211 VanDerWaalsContact O-N 3.08Å; C211-R227 HydrophobicContact CB-CB 4.27Å; C211-R227 PolarHBondContact O-N 2.99Å; C211-E251 VanDerWaalsContact CA-O 3.3Å; C211-E251 WeakPolarHBondContact CA-O 3.38Å; C211-A254 HydrophobicContact CB-CB 3.86Å
212	K	88.1	Confident	84.9	Confident	54 Å²	54	26 Å²	26	24%	0.235	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.9	167.1	-58.2	-169.4	-172.2	144.4	0	110.3	G210 P224 Q225 V250 E251	G210-K212 PolarHBondContact O-N 2.85Å; K212-P224 HydrophobicContact CB-CB 3.84Å; K212-P224 HydrophobicContact CD-CB 4Å; K212-Q225 WeakPolarHBondContact CA-O 3.35Å; K212-V250 PolarHBondContact O-N 3.34Å; K212-E251 HydrophobicContact CB-CG 3.94Å; K212-E251 HydrophobicContact CD-CG 4.22Å; K212-E251 WeakPolarHBondContact CD-OE1 3.08Å; K212-E251 WeakPolarHBondContact CE-OE1 3.47Å; K212-E251 HydrophobicContact CG-CG 4.01Å; K212-E251 PolarHBondContact N-O 2.8Å; K212-E251 IonicContact NZ-OE1 2.88Å; K212-E251 PolarHBondContact NZ-OE1 2.87Å
213	V	88.5	Confident	84	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	144.9	178.3	-62.9	0	0	0	0	110.9	I199 N215 P224 Q225 R227 N248	I199-V213 HydrophobicContact CD1-CG1 4.41Å; V213-N215 WeakPolarHBondContact CG2-OD1 3.34Å; V213-P224 CarbonylContact O-C 3.58Å; V213-P224 WeakPolarHBondContact O-CA 3.38Å; V213-Q225 HydrophobicContact CG2-CB 4.49Å; V213-Q225 PolarHBondContact N-O 3.08Å; V213-Q225 PolarHBondContact O-N 3.13Å; V213-R227 HydrophobicContact CB-CG 4.29Å; V213-R227 HydrophobicContact CG1-CG 3.71Å; V213-R227 HydrophobicContact CG2-CG 3.66Å; V213-N248 CarbonylContact C-O 3.59Å; V213-N248 VanDerWaalsContact CA-O 3.23Å; V213-N248 WeakPolarHBondContact CA-O 3.44Å
214	D	83.8	Confident	83.4	Confident	44 Å²	44	32 Å²	32	24%	0.235	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	109.8	171	179.5	2.8	0	0	0	109.3	S216 T247 N248 V250	D214-S216 VanDerWaalsContact CG-OG 3.31Å; D214-S216 WeakPolarHBondContact OD1-CB 3.33Å; D214-S216 PolarHBondContact OD1-N 2.84Å; D214-S216 PolarHBondContact OD1-OG 2.93Å; D214-S216 PolarHBondContact OD2-OG 2.82Å; D214-T247 VanDerWaalsContact O-CB 3.23Å; D214-T247 WeakPolarHBondContact O-CB 3.44Å; D214-N248 PolarHBondContact N-O 2.89Å; D214-V250 HydrophobicContact CB-CG2 3.7Å
215	N	85	Confident	82.9	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	20%	0.2	C	C	.	.			trans	-95.4	10.3	179.7	-75.6	-13.9	0	0	0	113	V213 S217 L218 T219 T247	V213-N215 WeakPolarHBondContact CG2-OD1 3.34Å; N215-S217 PolarHBondContact O-N 2.76Å; N215-L218 PolarHBondContact O-N 2.81Å; N215-T219 HydrophobicContact CB-CG2 4.3Å; N215-T219 PolarHBondContact O-N 2.89Å; N215-T219 PolarHBondContact O-OG1 2.79Å; N215-T219 VanDerWaalsContact O-OG1 3.13Å; N215-T247 WeakPolarHBondContact OD1-CG2 3.47Å
216	S	75.2	Confident	82.6	Confident	21 Å²	21	36.9 Å²	36.9	15%	0.147	22%	0.217	C	C	.	.	H	α-helix	trans	-50.9	-34.9	-176.8	56.3	0	0	0	0	113.4	D214 L218 G220 E221	D214-S216 VanDerWaalsContact CG-OG 3.31Å; D214-S216 WeakPolarHBondContact OD1-CB 3.33Å; D214-S216 PolarHBondContact OD1-N 2.84Å; D214-S216 PolarHBondContact OD1-OG 2.93Å; D214-S216 PolarHBondContact OD2-OG 2.82Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 2.91Å; S216-G220 WeakPolarHBondContact O-CA 3.47Å; S216-G220 PolarHBondContact O-N 2.95Å; S216-E221 WeakPolarHBondContact CA-O 3.48Å; S216-E221 WeakPolarHBondContact CB-O 3.43Å; S216-E221 PolarHBondContact N-O 3.02Å; S216-E221 VanDerWaalsContact N-O 3.08Å
217	S	71.6	Confident	82.5	Confident	27 Å²	27	36.2 Å²	36.2	19%	0.189	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-26.6	177.7	-61.5	0	0	0	0	114.2	N215 V719 N720	N215-S217 PolarHBondContact O-N 2.76Å; S217-V719 WeakPolarHBondContact O-CB 3.45Å; S217-V719 PolarHBondContact O-N 3.2Å; S217-N720 PolarHBondContact O-N 3.07Å
218	L	77	Confident	82.4	Confident	12 Å²	12	35 Å²	35	6%	0.063	20%	0.204	C	C	.	.	H	α-helix	trans	-101.2	-45.1	179.4	-81	83.3	0	0	0	112.5	N215 S216 L237 F244 T247 V266 M267 N720	N215-L218 PolarHBondContact O-N 2.81Å; S216-L218 VanDerWaalsContact C-N 3.27Å; S216-L218 PolarHBondContact O-N 2.91Å; L218-L237 HydrophobicContact CD2-CD2 4.35Å; L218-F244 HydrophobicContact CD1-CB 4.09Å; L218-F244 HydrophobicContact CD2-CB 3.88Å; L218-F244 HydrophobicContact CD2-CD1 4.02Å; L218-F244 HydrophobicContact CD2-CD2 4Å; L218-F244 HydrophobicContact CD2-CG 3.69Å; L218-T247 HydrophobicContact CD1-CG2 3.58Å; L218-V266 HydrophobicContact CD2-CB 4.34Å; L218-V266 HydrophobicContact CD2-CG1 3.79Å; L218-M267 HydrophobicContact CD1-CE 3.73Å; L218-M267 HydrophobicContact CD1-CG 3.66Å; L218-M267 HydrophobicContact CD1-SD 3.53Å; L218-M267 VanDerWaalsContact CD1-SD 3.53Å; L218-M267 HydrophobicContact CD2-CG 4.45Å; L218-M267 HydrophobicContact CG-CE 4.39Å; L218-M267 HydrophobicContact CG-CG 4.04Å; L218-M267 HydrophobicContact CG-SD 3.62Å; L218-N720 VanDerWaalsContact O-CB 3.3Å; L218-N720 WeakPolarHBondContact O-CB 3.44Å
219	T	76.5	Confident	82.4	Confident	26 Å²	26	36.1 Å²	36.1	16%	0.16	21%	0.21	C	C	.	.	H	α-helix	trans	-97	-17.6	-173.8	59.8	0	0	0	0	112.4	N215 E221 G618	N215-T219 HydrophobicContact CB-CG2 4.3Å; N215-T219 PolarHBondContact O-N 2.89Å; N215-T219 PolarHBondContact O-OG1 2.79Å; N215-T219 VanDerWaalsContact O-OG1 3.13Å; T219-E221 PolarHBondContact O-N 3.04Å; T219-E221 WeakPolarHBondContact OG1-CB 3.24Å; T219-E221 PolarHBondContact OG1-N 2.88Å; T219-E221 VanDerWaalsContact OG1-N 3.11Å; T219-G618 VanDerWaalsContact O-CA 3.25Å; T219-G618 WeakPolarHBondContact O-CA 3.21Å
220	G	69.3	Low	82.5	Confident	3 Å²	3	36.6 Å²	36.6	3%	0.031	21%	0.212	C	C	.	.	S	Bend	trans	71.5	8.9	-165.7	0	0	0	0	0	112.8	S216 T378	S216-G220 WeakPolarHBondContact O-CA 3.47Å; S216-G220 PolarHBondContact O-N 2.95Å; G220-T378 WeakPolarHBondContact O-CB 3.37Å; G220-T378 VanDerWaalsContact O-CG2 3.22Å; G220-T378 WeakPolarHBondContact O-CG2 3.34Å; G220-T378 PolarHBondContact O-OG1 3.19Å
221	E	73.9	Confident	82.9	Confident	21 Å²	21	38.1 Å²	38.1	10%	0.098	20%	0.202	C	C	.	.			trans	-104	126.6	178	-64.3	179.7	162.3	0	0	111	S216 T219 D619 H620 R692	S216-E221 WeakPolarHBondContact CA-O 3.48Å; S216-E221 WeakPolarHBondContact CB-O 3.43Å; S216-E221 PolarHBondContact N-O 3.02Å; S216-E221 VanDerWaalsContact N-O 3.08Å; T219-E221 PolarHBondContact O-N 3.04Å; T219-E221 WeakPolarHBondContact OG1-CB 3.24Å; T219-E221 PolarHBondContact OG1-N 2.88Å; T219-E221 VanDerWaalsContact OG1-N 3.11Å; E221-D619 HydrophobicContact CG-CB 4.44Å; E221-D619 VanDerWaalsContact OE1-CA 3.31Å; E221-D619 WeakPolarHBondContact OE1-CA 3.41Å; E221-H620 PolarHBondContact OE1-N 3.45Å; E221-R692 IonicContact OE1-CZ 3.86Å; E221-R692 IonicContact OE1-NH1 2.88Å; E221-R692 PolarHBondContact OE1-NH1 3.22Å; E221-R692 IonicContact OE2-NH1 2.82Å; E221-R692 PolarHBondContact OE2-NH1 3.34Å
222	S	65.6	Low	82.9	Confident	35 Å²	35	41.1 Å²	41.1	25%	0.245	22%	0.221	C	C	.	.			trans	-94.8	2.9	-177.5	-46.4	0	0	0	0	113.4	P224 N384	S222-P224 WeakPolarHBondContact O-CD 3.33Å; S222-N384 WeakPolarHBondContact CB-OD1 3.24Å; S222-N384 PolarHBondContact OG-OD1 2.98Å
223	E	74.7	Confident	82.9	Confident	99 Å²	99	41.2 Å²	41.2	46%	0.463	22%	0.224	S	C	.	.	S	Bend	trans	-71	122.4	170.9	-176.5	169.5	-156.7	0	0	109.5	Q225 R551	E223-Q225 PolarHBondContact O-N 3.08Å; E223-Q225 PolarHBondContact O-NE2 2.83Å; E223-R551 IonicContact OE1-CZ 2.93Å; E223-R551 IonicContact OE1-NH1 2.81Å; E223-R551 PolarHBondContact OE1-NH1 2.85Å
224	P	81.8	Confident	82.7	Confident	26 Å²	26	46.5 Å²	46.5	17%	0.169	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-61.5	121.2	178.6	-23.7	34.6	0	0	0	111.7	K212 V213 S222 V250	K212-P224 HydrophobicContact CB-CB 3.84Å; K212-P224 HydrophobicContact CD-CB 4Å; V213-P224 CarbonylContact O-C 3.58Å; V213-P224 WeakPolarHBondContact O-CA 3.38Å; S222-P224 WeakPolarHBondContact O-CD 3.33Å; P224-V250 HydrophobicContact CB-CB 4.35Å; P224-V250 HydrophobicContact CB-CG2 4.14Å; P224-V250 HydrophobicContact CG-CB 4.5Å; P224-V250 HydrophobicContact CG-CG1 4.22Å; P224-V250 HydrophobicContact CG-CG2 4.22Å
225	Q	86.3	Confident	82.6	Confident	56 Å²	56	47 Å²	47	26%	0.262	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	124.4	-178.2	-63	-59.8	-45	0	0	111.1	K212 V213 E223 R227	K212-Q225 WeakPolarHBondContact CA-O 3.35Å; V213-Q225 HydrophobicContact CG2-CB 4.49Å; V213-Q225 PolarHBondContact N-O 3.08Å; V213-Q225 PolarHBondContact O-N 3.13Å; E223-Q225 PolarHBondContact O-N 3.08Å; E223-Q225 PolarHBondContact O-NE2 2.83Å; Q225-R227 PolarHBondContact O-NE 3.44Å
226	T	90.1	Very high	82.7	Confident	59 Å²	59	47.2 Å²	47.2	36%	0.362	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	138.1	177.1	-54.5	0	0	0	0	111.6
227	R	93.3	Very high	83.1	Confident	8 Å²	8	48.5 Å²	48.5	3%	0.03	26%	0.261	C	S	.	.			trans	-111.3	133.6	173.7	-59.6	-63.7	95	-176.9	-2.3	111	I205 A208 C211 V213 Q225 T239 R240 I242	I205-R227 HydrophobicContact CG1-CB 4.43Å; A208-R227 WeakPolarHBondContact CB-O 3.31Å; C211-R227 HydrophobicContact CB-CB 4.27Å; C211-R227 PolarHBondContact O-N 2.99Å; V213-R227 HydrophobicContact CB-CG 4.29Å; V213-R227 HydrophobicContact CG1-CG 3.71Å; V213-R227 HydrophobicContact CG2-CG 3.66Å; Q225-R227 PolarHBondContact O-NE 3.44Å; R227-T239 PolarHBondContact NH1-O 3.37Å; R227-R240 CarbonylContact C-O 3.59Å; R227-R240 WeakPolarHBondContact CA-O 3.2Å; R227-R240 WeakPolarHBondContact CD-O 3.39Å; R227-I242 WeakPolarHBondContact CD-O 3.02Å; R227-I242 PolarHBondContact NH1-O 3.09Å
228	S	92.6	Very high	83.7	Confident	23 Å²	23	50.6 Å²	50.6	16%	0.161	27%	0.268	C	S	.	.			trans	-139.1	155.5	179.4	57.1	0	0	0	0	111	E230 R240 N241	S228-E230 PolarHBondContact O-N 3Å; S228-R240 PolarHBondContact N-O 3.36Å; S228-R240 CarbonylContact O-C 3.58Å; S228-R240 VanDerWaalsContact OG-CB 3.25Å; S228-R240 WeakPolarHBondContact OG-CB 3.37Å; S228-N241 WeakPolarHBondContact O-CA 3.1Å; S228-N241 WeakPolarHBondContact O-CB 3.48Å
229	P	93.8	Very high	84.3	Confident	44 Å²	44	50 Å²	50	29%	0.286	27%	0.265	S	S	.	.	S	Bend	trans	-66.9	-25.6	177.7	-22.3	35.5	0	0	0	114.3	R204 I205 I206	R204-P229 PolarHBondContact NH1-O 3.41Å; R204-P229 PolarHBondContact NH2-O 3.42Å; I205-P229 WeakPolarHBondContact O-CA 3.43Å; I206-P229 WeakPolarHBondContact O-CB 3.21Å; I206-P229 WeakPolarHBondContact O-CG 3.26Å
230	E	91.6	Very high	85.1	Confident	146 Å²	146	54.7 Å²	54.7	68%	0.682	28%	0.28	S	S	*	.	S	Bend	trans	-71.9	136.1	-176.6	-63.8	179.3	-177.9	0	0	112.9	S228 N241	S228-E230 PolarHBondContact O-N 3Å; E230-N241 VanDerWaalsContact O-CB 3.29Å; E230-N241 WeakPolarHBondContact O-CB 3.39Å
231	F	92.6	Very high	86.3	Confident	90 Å²	90	54.5 Å²	54.5	40%	0.395	28%	0.278	S	S	.	.			trans	-68.1	127.9	170.4	166.9	-97	0	0	0	110.7	H44 K45 N233 N241	H44-F231 AromaticContact CD2-CD2 3.69Å; H44-F231 AromaticContact CD2-CE2 3.57Å; H44-F231 AromaticContact NE2-CE2 3.8Å; K45-F231 HydrophobicContact CG-CD2 4.26Å; K45-F231 HydrophobicContact CG-CE2 3.74Å; K45-F231 HydrophobicContact CG-CZ 4.3Å; F231-N233 WeakPolarHBondContact CE2-O 3.04Å; F231-N241 VanDerWaalsContact CA-ND2 3.28Å; F231-N241 WeakPolarHBondContact CA-ND2 3.07Å; F231-N241 PolarHBondContact N-ND2 2.99Å
232	T	89.5	Confident	87.3	Confident	65 Å²	65	53.5 Å²	53.5	40%	0.399	27%	0.274	S	S	.	.			trans	-123.8	-20.8	-175.1	60.6	0	0	0	0	115	T239 R240	T232-T239 PolarHBondContact N-OG1 3.42Å; T232-T239 WeakPolarHBondContact OG1-CA 3.19Å; T232-R240 HydrophobicContact CG2-CB 4.14Å; T232-R240 HydrophobicContact CG2-CG 4.11Å; T232-R240 PolarHBondContact OG1-N 3.28Å
233	N	87.7	Confident	88.6	Confident	56 Å²	56	51.9 Å²	51.9	30%	0.299	26%	0.262	S	S	.	.			trans	-153.1	143.1	-176	-168.2	-44.2	0	0	0	109.9	F231 N235 E238 T239	F231-N233 WeakPolarHBondContact CE2-O 3.04Å; N233-N235 VanDerWaalsContact C-N 3.3Å; N233-N235 PolarHBondContact O-N 3.5Å; N233-N235 PolarHBondContact OD1-N 3.3Å; N233-E238 HydrophobicContact CB-CB 4.2Å; N233-E238 PolarHBondContact ND2-OE2 3.41Å; N233-T239 WeakPolarHBondContact O-CB 3.49Å
234	D	84.6	Confident	89.4	Confident	112 Å²	112	47.3 Å²	47.3	60%	0.599	24%	0.241	S	C	*	.	S	Bend	trans	-62.1	-36.7	175.6	-77.8	-47.8	0	0	0	112.6	H44 P236	H44-D234 PolarHBondContact CE1-O 3.01Å; H44-D234 PolarHBondContact NE2-O 3.13Å; D234-P236 WeakPolarHBondContact O-CD 3.37Å
235	N	82.5	Confident	89.7	Confident	53 Å²	53	47.8 Å²	47.8	28%	0.283	24%	0.24	S	C	.	.	S	Bend	trans	-70.7	119	176.2	-173.7	-17.4	0	0	0	109.9	N233 L237 E238 T239	N233-N235 VanDerWaalsContact C-N 3.3Å; N233-N235 PolarHBondContact O-N 3.5Å; N233-N235 PolarHBondContact OD1-N 3.3Å; N235-L237 PolarHBondContact O-N 2.93Å; N235-L237 WeakPolarHBondContact OD1-CB 3.32Å; N235-L237 PolarHBondContact OD1-N 3.01Å; N235-E238 HydrophobicContact CB-CB 4.35Å; N235-E238 HydrophobicContact CB-CG 4.25Å; N235-E238 PolarHBondContact O-N 2.93Å; N235-T239 PolarHBondContact O-N 3.39Å
236	P	86.8	Confident	89.4	Confident	9 Å²	9	45.6 Å²	45.6	6%	0.058	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-27.6	-179.4	25.9	-35.9	0	0	0	112.7	L41 D234 E238 T239 I242 F244	L41-P236 HydrophobicContact CB-CB 3.71Å; L41-P236 HydrophobicContact CB-CG 3.95Å; L41-P236 HydrophobicContact CD1-CB 4.16Å; L41-P236 HydrophobicContact CD1-CG 4.48Å; D234-P236 WeakPolarHBondContact O-CD 3.37Å; P236-E238 VanDerWaalsContact C-N 3.3Å; P236-E238 PolarHBondContact O-N 2.94Å; P236-T239 WeakPolarHBondContact O-CG2 3.13Å; P236-I242 HydrophobicContact CB-CD1 3.71Å; P236-F244 VanDerWaalsContact O-CZ 3.29Å; P236-F244 WeakPolarHBondContact O-CZ 3.33Å
237	L	83.8	Confident	89.2	Confident	48 Å²	48	42.8 Å²	42.8	25%	0.251	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-24.8	178.4	-58.2	-179.3	0	0	0	113	L218 N235 F244 V266	L218-L237 HydrophobicContact CD2-CD2 4.35Å; N235-L237 PolarHBondContact O-N 2.93Å; N235-L237 WeakPolarHBondContact OD1-CB 3.32Å; N235-L237 PolarHBondContact OD1-N 3.01Å; L237-F244 HydrophobicContact CD2-CE1 4.05Å; L237-F244 HydrophobicContact CD2-CZ 3.94Å; L237-V266 HydrophobicContact CD2-CG1 4.08Å
238	E	84.2	Confident	88.8	Confident	71 Å²	71	45.6 Å²	45.6	33%	0.332	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	-21.5	-176.4	-59.4	-159.5	143.9	0	0	113.6	N233 N235 P236 R692	N233-E238 HydrophobicContact CB-CB 4.2Å; N233-E238 PolarHBondContact ND2-OE2 3.41Å; N235-E238 HydrophobicContact CB-CB 4.35Å; N235-E238 HydrophobicContact CB-CG 4.25Å; N235-E238 PolarHBondContact O-N 2.93Å; P236-E238 VanDerWaalsContact C-N 3.3Å; P236-E238 PolarHBondContact O-N 2.94Å; E238-R692 IonicContact OE1-CZ 2.67Å; E238-R692 IonicContact OE1-NE 2.92Å; E238-R692 PolarHBondContact OE1-NE 3.41Å; E238-R692 IonicContact OE1-NH2 3.63Å; E238-R692 PolarHBondContact OE1-NH2 3.04Å
239	T	90.2	Very high	88.6	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.222	C	C	.	.			trans	-62.1	146.9	177.9	-169.6	0	0	0	0	111.3	H44 R227 T232 N233 N235 P236 N241 I242	H44-T239 HydrophobicContact CB-CG2 4.18Å; R227-T239 PolarHBondContact NH1-O 3.37Å; T232-T239 PolarHBondContact N-OG1 3.42Å; T232-T239 WeakPolarHBondContact OG1-CA 3.19Å; N233-T239 WeakPolarHBondContact O-CB 3.49Å; N235-T239 PolarHBondContact O-N 3.39Å; P236-T239 WeakPolarHBondContact O-CG2 3.13Å; T239-N241 VanDerWaalsContact C-N 3.25Å; T239-N241 WeakPolarHBondContact CB-OD1 3.49Å; T239-N241 WeakPolarHBondContact CG2-OD1 3.5Å; T239-N241 PolarHBondContact O-N 3.28Å; T239-N241 PolarHBondContact OG1-OD1 3.16Å; T239-I242 HydrophobicContact CG2-CB 4.27Å; T239-I242 HydrophobicContact CG2-CD1 3.89Å; T239-I242 HydrophobicContact CG2-CG1 4.01Å
240	R	92.8	Very high	88.1	Confident	124 Å²	124	45.2 Å²	45.2	47%	0.468	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-9.5	-179.6	-66	-173.7	-177.7	169.5	-0.4	113.8	R227 S228 T232	R227-R240 CarbonylContact C-O 3.59Å; R227-R240 WeakPolarHBondContact CA-O 3.2Å; R227-R240 WeakPolarHBondContact CD-O 3.39Å; S228-R240 PolarHBondContact N-O 3.36Å; S228-R240 CarbonylContact O-C 3.58Å; S228-R240 VanDerWaalsContact OG-CB 3.25Å; S228-R240 WeakPolarHBondContact OG-CB 3.37Å; T232-R240 HydrophobicContact CG2-CB 4.14Å; T232-R240 HydrophobicContact CG2-CG 4.11Å; T232-R240 PolarHBondContact OG1-N 3.28Å
241	N	95.1	Very high	87.6	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	11.4	-165.3	78.5	-20.3	0	0	0	113.7	H44 R204 I205 S228 E230 F231 T239	H44-N241 WeakPolarHBondContact CB-OD1 3.3Å; H44-N241 PolarHBondContact O-ND2 2.88Å; R204-N241 WeakPolarHBondContact CD-O 3.29Å; R204-N241 VanDerWaalsContact CZ-CG 3.43Å; R204-N241 PolarHBondContact NE-ND2 2.86Å; R204-N241 VanDerWaalsContact NH1-CG 3.3Å; R204-N241 PolarHBondContact NH1-ND2 2.67Å; R204-N241 PolarHBondContact NH1-O 2.9Å; R204-N241 PolarHBondContact NH2-ND2 3.42Å; I205-N241 PolarHBondContact N-O 3.32Å; S228-N241 WeakPolarHBondContact O-CA 3.1Å; S228-N241 WeakPolarHBondContact O-CB 3.48Å; E230-N241 VanDerWaalsContact O-CB 3.29Å; E230-N241 WeakPolarHBondContact O-CB 3.39Å; F231-N241 VanDerWaalsContact CA-ND2 3.28Å; F231-N241 WeakPolarHBondContact CA-ND2 3.07Å; F231-N241 PolarHBondContact N-ND2 2.99Å; T239-N241 VanDerWaalsContact C-N 3.25Å; T239-N241 WeakPolarHBondContact CB-OD1 3.49Å; T239-N241 WeakPolarHBondContact CG2-OD1 3.5Å; T239-N241 PolarHBondContact O-N 3.28Å; T239-N241 PolarHBondContact OG1-OD1 3.16Å
242	I	94.7	Very high	87.3	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.9	167	-66.1	169.8	0	0	0	109.3	H44 L203 R227 P236 T239 F244	H44-I242 HydrophobicContact CB-CD1 3.58Å; H44-I242 HydrophobicContact CB-CG1 3.87Å; L203-I242 CarbonylContact O-C 3.59Å; L203-I242 VanDerWaalsContact O-CA 3.27Å; L203-I242 WeakPolarHBondContact O-CA 3.24Å; R227-I242 WeakPolarHBondContact CD-O 3.02Å; R227-I242 PolarHBondContact NH1-O 3.09Å; P236-I242 HydrophobicContact CB-CD1 3.71Å; T239-I242 HydrophobicContact CG2-CB 4.27Å; T239-I242 HydrophobicContact CG2-CD1 3.89Å; T239-I242 HydrophobicContact CG2-CG1 4.01Å; I242-F244 HydrophobicContact CB-CE1 4.42Å; I242-F244 HydrophobicContact CB-CZ 4.14Å; I242-F244 HydrophobicContact CG2-CD1 3.84Å; I242-F244 HydrophobicContact CG2-CD2 4.49Å; I242-F244 HydrophobicContact CG2-CE1 3.41Å; I242-F244 VanDerWaalsContact CG2-CE1 3.41Å; I242-F244 HydrophobicContact CG2-CE2 4.12Å; I242-F244 HydrophobicContact CG2-CG 4.36Å; I242-F244 HydrophobicContact CG2-CZ 3.56Å
243	A	93.1	Very high	87.3	Confident	1 Å²	1	38 Å²	38	1%	0.008	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.9	161.3	0	0	0	0	0	109.2	I199 D202 L203 I205	I199-A243 HydrophobicContact CD1-CB 4.33Å; I199-A243 HydrophobicContact CG1-CB 4.3Å; I199-A243 HydrophobicContact CG2-CB 4.13Å; D202-A243 CarbonylContact C-O 3.58Å; D202-A243 WeakPolarHBondContact CA-O 3.25Å; L203-A243 HydrophobicContact CB-CB 4.42Å; L203-A243 PolarHBondContact N-O 3.2Å; L203-A243 PolarHBondContact O-N 3.22Å; I205-A243 HydrophobicContact CD1-CB 3.93Å; I205-A243 HydrophobicContact CG1-CB 4.48Å
244	F	90.6	Very high	87.7	Confident	2 Å²	2	35.4 Å²	35.4	1%	0.009	19%	0.187	C	C	.	.			trans	-107.7	147.6	-168.3	-59.9	-77.2	0	0	0	112.6	I199 D202 L218 P236 L237 I242 T247 V266	I199-F244 VanDerWaalsContact CB-O 3.25Å; I199-F244 WeakPolarHBondContact CB-O 3.4Å; I199-F244 VanDerWaalsContact CG2-O 3.29Å; I199-F244 WeakPolarHBondContact CG2-O 3.38Å; D202-F244 WeakPolarHBondContact OD1-CA 3.22Å; L218-F244 HydrophobicContact CD1-CB 4.09Å; L218-F244 HydrophobicContact CD2-CB 3.88Å; L218-F244 HydrophobicContact CD2-CD1 4.02Å; L218-F244 HydrophobicContact CD2-CD2 4Å; L218-F244 HydrophobicContact CD2-CG 3.69Å; P236-F244 VanDerWaalsContact O-CZ 3.29Å; P236-F244 WeakPolarHBondContact O-CZ 3.33Å; L237-F244 HydrophobicContact CD2-CE1 4.05Å; L237-F244 HydrophobicContact CD2-CZ 3.94Å; I242-F244 HydrophobicContact CB-CE1 4.42Å; I242-F244 HydrophobicContact CB-CZ 4.14Å; I242-F244 HydrophobicContact CG2-CD1 3.84Å; I242-F244 HydrophobicContact CG2-CD2 4.49Å; I242-F244 HydrophobicContact CG2-CE1 3.41Å; I242-F244 VanDerWaalsContact CG2-CE1 3.41Å; I242-F244 HydrophobicContact CG2-CE2 4.12Å; I242-F244 HydrophobicContact CG2-CG 4.36Å; I242-F244 HydrophobicContact CG2-CZ 3.56Å; F244-T247 HydrophobicContact CB-CG2 3.87Å; F244-T247 WeakPolarHBondContact O-CB 3.34Å; F244-T247 PolarHBondContact O-N 3.19Å; F244-T247 PolarHBondContact O-OG1 2.82Å; F244-V266 HydrophobicContact CD1-CB 4.21Å; F244-V266 HydrophobicContact CD1-CG2 3.85Å; F244-V266 HydrophobicContact CE1-CG2 3.88Å
245	F	87.6	Confident	88.2	Confident	37 Å²	37	34.2 Å²	34.2	16%	0.162	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	144	169.1	176.9	-123.7	0	0	0	111	L80 P200 D202 T247 T265 M267	L80-F245 HydrophobicContact CD1-CE1 4.27Å; L80-F245 HydrophobicContact CD2-CE1 4.17Å; L80-F245 HydrophobicContact CG-CE1 4.18Å; P200-F245 VanDerWaalsContact O-CD2 3.29Å; P200-F245 WeakPolarHBondContact O-CD2 3.3Å; D202-F245 PolarHBondContact OD1-N 2.8Å; F245-T247 PolarHBondContact O-N 3.19Å; F245-T265 HydrophobicContact CB-CG2 3.91Å; F245-T265 HydrophobicContact CG-CG2 4.32Å; F245-M267 HydrophobicContact CD1-CB 3.89Å; F245-M267 WeakPolarHBondContact O-CG 3.45Å
246	S	79.8	Confident	88.8	Confident	9 Å²	9	31.7 Å²	31.7	6%	0.063	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	-10.2	-178.8	178.5	0	0	0	0	116.4	R198 I199	R198-S246 PolarHBondContact NE-O 2.79Å; R198-S246 PolarHBondContact NH2-OG 2.48Å; I199-S246 PolarHBondContact O-N 3.45Å
247	T	86.3	Confident	89.3	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.158	C	C	.	.			trans	-77.6	161	173.2	65	0	0	0	0	111.5	R198 I199 D214 N215 L218 F244 F245	R198-T247 VanDerWaalsContact CG-O 3.23Å; R198-T247 WeakPolarHBondContact CG-O 3.35Å; I199-T247 WeakPolarHBondContact CB-O 3.46Å; I199-T247 WeakPolarHBondContact CG1-O 3.29Å; I199-T247 WeakPolarHBondContact CG1-OG1 3.27Å; I199-T247 PolarHBondContact N-O 2.93Å; D214-T247 VanDerWaalsContact O-CB 3.23Å; D214-T247 WeakPolarHBondContact O-CB 3.44Å; N215-T247 WeakPolarHBondContact OD1-CG2 3.47Å; L218-T247 HydrophobicContact CD1-CG2 3.58Å; F244-T247 HydrophobicContact CB-CG2 3.87Å; F244-T247 WeakPolarHBondContact O-CB 3.34Å; F244-T247 PolarHBondContact O-N 3.19Å; F244-T247 PolarHBondContact O-OG1 2.82Å; F245-T247 PolarHBondContact O-N 3.19Å
248	N	84.8	Confident	89.9	Confident	68 Å²	68	29 Å²	29	36%	0.364	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	136.1	-179.1	-71.9	44.2	0	0	0	110.5	R198 V213 D214 V250	R198-N248 WeakPolarHBondContact CG-OD1 3.5Å; V213-N248 CarbonylContact C-O 3.59Å; V213-N248 VanDerWaalsContact CA-O 3.23Å; V213-N248 WeakPolarHBondContact CA-O 3.44Å; D214-N248 PolarHBondContact N-O 2.89Å; N248-V250 PolarHBondContact O-N 3.24Å
249	C	88	Confident	90.4	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.007	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	116.9	166.6	-175.4	0	0	0	0	108.2	K194 G196 D197 I199 E251	K194-C249 VanDerWaalsContact C-SG 3.54Å; K194-C249 WeakPolarHBondContact O-CB 3.38Å; G196-C249 PolarHBondContact N-O 2.93Å; D197-C249 PolarHBondContact O-N 3.22Å; I199-C249 HydrophobicContact CD1-CB 4.29Å; C249-E251 PolarHBondContact SG-O 3.08Å; C249-E251 VanDerWaalsContact SG-O 3.41Å
250	V	83.1	Confident	90.5	Very high	57 Å²	57	27.4 Å²	27.4	35%	0.345	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-44.8	-176.9	-178.6	0	0	0	0	110	K212 D214 P224 N248	K212-V250 PolarHBondContact O-N 3.34Å; D214-V250 HydrophobicContact CB-CG2 3.7Å; P224-V250 HydrophobicContact CB-CB 4.35Å; P224-V250 HydrophobicContact CB-CG2 4.14Å; P224-V250 HydrophobicContact CG-CB 4.5Å; P224-V250 HydrophobicContact CG-CG1 4.22Å; P224-V250 HydrophobicContact CG-CG2 4.22Å; N248-V250 PolarHBondContact O-N 3.24Å
251	E	81.4	Confident	90.4	Very high	66 Å²	66	21.6 Å²	21.6	31%	0.308	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	165.4	-179.3	61.1	173.7	-175.6	0	0	112	C211 K212 C249	C211-E251 VanDerWaalsContact CA-O 3.3Å; C211-E251 WeakPolarHBondContact CA-O 3.38Å; K212-E251 HydrophobicContact CB-CG 3.94Å; K212-E251 HydrophobicContact CD-CG 4.22Å; K212-E251 WeakPolarHBondContact CD-OE1 3.08Å; K212-E251 WeakPolarHBondContact CE-OE1 3.47Å; K212-E251 HydrophobicContact CG-CG 4.01Å; K212-E251 PolarHBondContact N-O 2.8Å; K212-E251 IonicContact NZ-OE1 2.88Å; K212-E251 PolarHBondContact NZ-OE1 2.87Å; C249-E251 PolarHBondContact SG-O 3.08Å; C249-E251 VanDerWaalsContact SG-O 3.41Å
252	G	86.1	Confident	90	Very high	35 Å²	35	21.7 Å²	21.7	36%	0.361	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	77.3	-164.1	-179.8	0	0	0	0	0	113.9	K194 G195 H209 G210	K194-G252 CarbonylContact C-O 3.6Å; K194-G252 WeakPolarHBondContact CA-O 3.27Å; G195-G252 PolarHBondContact N-O 3Å; H209-G252 WeakPolarHBondContact O-CA 3.05Å; G210-G252 WeakPolarHBondContact O-CA 3.44Å
253	T	91.1	Very high	89.4	Confident	48 Å²	48	24.1 Å²	24.1	29%	0.294	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	145.4	174.5	-179.3	0	0	0	0	110.8	V193 A208 H209	V193-T253 VanDerWaalsContact O-CA 3.29Å; V193-T253 WeakPolarHBondContact O-CA 3.41Å; V193-T253 PolarHBondContact O-OG1 3.49Å; A208-T253 WeakPolarHBondContact CA-O 3.42Å; H209-T253 HydrophobicContact CB-CG2 4.03Å; H209-T253 PolarHBondContact N-O 2.77Å; H209-T253 PolarHBondContact O-N 3.19Å; H209-T253 VanDerWaalsContact O-N 3.07Å
254	A	94.9	Very high	89.2	Confident	2 Å²	2	29.5 Å²	29.5	2%	0.017	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	154.7	173.5	0	0	0	0	0	112	E192 V193 I205 S207 A208 C211	E192-A254 WeakPolarHBondContact CA-O 3.31Å; V193-A254 HydrophobicContact CG2-CB 3.98Å; V193-A254 PolarHBondContact N-O 2.77Å; V193-A254 PolarHBondContact O-N 2.93Å; I205-A254 HydrophobicContact CD1-CB 4.23Å; I205-A254 HydrophobicContact CG2-CB 4.46Å; S207-A254 CarbonylContact O-C 3.43Å; S207-A254 WeakPolarHBondContact O-CA 3.4Å; A208-A254 HydrophobicContact CB-CB 4.01Å; C211-A254 HydrophobicContact CB-CB 3.86Å
255	R	95.2	Very high	89.1	Confident	87 Å²	87	29.4 Å²	29.4	33%	0.328	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	137.5	168.3	-68.6	-176.7	177.7	171.2	2.4	109.8	L190 V191 E192 I206 S207	L190-R255 HydrophobicContact CD1-CB 4.25Å; V191-R255 VanDerWaalsContact O-CA 3.28Å; V191-R255 WeakPolarHBondContact O-CA 3.49Å; E192-R255 HydrophobicContact CB-CG 4.26Å; E192-R255 HydrophobicContact CG-CG 4.07Å; E192-R255 IonicContact OE2-CZ 3.23Å; E192-R255 VanDerWaalsContact OE2-CZ 3.26Å; E192-R255 IonicContact OE2-NE 2.95Å; E192-R255 PolarHBondContact OE2-NE 2.9Å; E192-R255 IonicContact OE2-NH2 2.77Å; E192-R255 PolarHBondContact OE2-NH2 3.34Å; I206-R255 HydrophobicContact CG1-CB 4.29Å; I206-R255 WeakPolarHBondContact CG1-O 3.33Å; I206-R255 PolarHBondContact N-O 2.78Å; S207-R255 PolarHBondContact N-O 2.81Å; S207-R255 PolarHBondContact O-N 3.08Å
256	G	95.5	Very high	89	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	155.2	178.4	0	0	0	0	0	113.1	V191 R204	V191-G256 PolarHBondContact N-O 3.05Å; V191-G256 PolarHBondContact O-N 2.98Å; R204-G256 CarbonylContact O-C 3.58Å; R204-G256 WeakPolarHBondContact O-CA 3.47Å
257	I	96.4	Very high	89.1	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	133.5	173.3	-69.1	168.7	0	0	0	108.9	L51 Y55 T57 L59 D189 L203 R204 I206 I259	L51-I257 HydrophobicContact CD2-CB 4.35Å; L51-I257 HydrophobicContact CD2-CD1 3.8Å; L51-I257 HydrophobicContact CG-CD1 4.33Å; Y55-I257 HydrophobicContact CD2-CG2 4.37Å; Y55-I257 HydrophobicContact CG-CG2 4.47Å; T57-I257 HydrophobicContact CG2-CD1 3.52Å; T57-I257 HydrophobicContact CG2-CG1 3.91Å; T57-I257 HydrophobicContact CG2-CG2 4.06Å; L59-I257 HydrophobicContact CD2-CD1 3.54Å; D189-I257 CarbonylContact O-C 3.47Å; D189-I257 WeakPolarHBondContact O-CA 3.24Å; L203-I257 CarbonylContact C-O 3.59Å; L203-I257 WeakPolarHBondContact CA-O 3.34Å; R204-I257 PolarHBondContact N-O 2.63Å; R204-I257 PolarHBondContact O-N 2.8Å; I206-I257 HydrophobicContact CG2-CD1 4.23Å; I206-I257 HydrophobicContact CG2-CG1 4.36Å; I257-I259 PolarHBondContact O-N 3.24Å
258	V	96	Very high	88.8	Confident	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	121.3	174.1	-177	0	0	0	0	110.2	V185 V186 G188 D189 V191 A201 D202 L203 T261	V185-V258 HydrophobicContact CG1-CG1 4.48Å; V185-V258 HydrophobicContact CG1-CG2 3.68Å; V186-V258 WeakPolarHBondContact O-CB 3.3Å; G188-V258 PolarHBondContact N-O 2.86Å; D189-V258 HydrophobicContact CB-CG2 3.91Å; D189-V258 PolarHBondContact O-N 3.24Å; V191-V258 HydrophobicContact CG2-CG2 3.49Å; V191-V258 VanDerWaalsContact CG2-CG2 3.49Å; A201-V258 HydrophobicContact CB-CG1 3.72Å; A201-V258 HydrophobicContact CB-CG2 4.4Å; D202-V258 WeakPolarHBondContact O-CA 3.41Å; L203-V258 HydrophobicContact CD2-CB 4.24Å; L203-V258 HydrophobicContact CD2-CG2 3.59Å; V258-T261 HydrophobicContact CG1-CG2 3.51Å
259	I	94.8	Very high	88.7	Confident	4 Å²	4	27 Å²	27	2%	0.021	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-38.6	178.3	55.7	179.1	0	0	0	112.4	L41 D43 Y55 D202 R204 I257	L41-I259 HydrophobicContact CD2-CD1 3.63Å; L41-I259 HydrophobicContact CD2-CG1 4.46Å; D43-I259 HydrophobicContact CB-CG2 4.08Å; Y55-I259 HydrophobicContact CE2-CG2 4.08Å; Y55-I259 PolarHBondContact OH-O 2.99Å; D202-I259 HydrophobicContact CB-CD1 4.37Å; D202-I259 HydrophobicContact CB-CG1 3.87Å; D202-I259 WeakPolarHBondContact O-CG1 3.49Å; D202-I259 PolarHBondContact O-N 3Å; R204-I259 HydrophobicContact CB-CG2 3.62Å; I257-I259 PolarHBondContact O-N 3.24Å
260	N	92.8	Very high	88.3	Confident	34 Å²	34	27.1 Å²	27.1	18%	0.182	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	147.4	177.1	-69.8	-37.5	0	0	0	111.1	D202 R264 T265	D202-N260 HydrophobicContact CB-CB 4.12Å; D202-N260 PolarHBondContact N-O 3.38Å; N260-R264 HydrophobicContact CB-CB 4.34Å; N260-R264 PolarHBondContact ND2-O 2.76Å; N260-T265 HydrophobicContact CB-CG2 4.19Å; N260-T265 WeakPolarHBondContact O-CG2 3.42Å
261	T	91.5	Very high	88	Confident	2 Å²	2	25.3 Å²	25.3	1%	0.012	13%	0.127	C	C	.	.			trans	-130.3	151.2	178.1	56.5	0	0	0	0	111.8	N78 A201 V258 R264	N78-T261 HydrophobicContact CB-CG2 4.23Å; N78-T261 WeakPolarHBondContact OD1-CA 3.4Å; N78-T261 WeakPolarHBondContact OD1-CB 3.47Å; A201-T261 HydrophobicContact CB-CG2 4.45Å; V258-T261 HydrophobicContact CG1-CG2 3.51Å; T261-R264 WeakPolarHBondContact O-CB 3.43Å; T261-R264 PolarHBondContact O-N 2.84Å; T261-R264 PolarHBondContact OG1-NH2 3.26Å
262	G	86.4	Confident	87.8	Confident	2 Å²	2	24.3 Å²	24.3	2%	0.021	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	55.6	-132.7	176.2	0	0	0	0	0	113.1	N78 A79 R264 T265	N78-G262 PolarHBondContact OD1-N 2.88Å; A79-G262 WeakPolarHBondContact O-CA 3.42Å; G262-R264 PolarHBondContact O-N 3.42Å; G262-R264 VanDerWaalsContact O-N 3.11Å; G262-T265 WeakPolarHBondContact O-CB 3.32Å; G262-T265 WeakPolarHBondContact O-CG2 3.25Å; G262-T265 PolarHBondContact O-N 3.28Å; G262-T265 VanDerWaalsContact O-N 3.1Å; G262-T265 PolarHBondContact O-OG1 3.37Å
263	D	82.6	Confident	87.6	Confident	51 Å²	51	22.7 Å²	22.7	27%	0.273	11%	0.109	S	C	.	.	G	3₁₀ helix	trans	-60.7	-20	-178.7	-61.2	-23.3	0	0	0	114.3	L80 T81 T265 G268 R269	L80-D263 WeakPolarHBondContact CA-OD1 3.47Å; T81-D263 WeakPolarHBondContact CB-OD2 3.47Å; T81-D263 PolarHBondContact N-OD1 3.42Å; T81-D263 PolarHBondContact OG1-OD2 3.05Å; D263-T265 VanDerWaalsContact C-N 3.31Å; D263-G268 CarbonylContact O-C 3.11Å; D263-G268 VanDerWaalsContact O-C 3.24Å; D263-R269 PolarHBondContact O-N 2.71Å; D263-R269 VanDerWaalsContact O-N 3.17Å
264	R	87.7	Confident	86.9	Confident	114 Å²	114	20.8 Å²	20.8	43%	0.43	10%	0.098	S	C	.	.	G	3₁₀ helix	trans	-79.6	-14.3	178.9	-66.3	172.5	-70	-93.7	-3.9	113.2	D75 N260 T261 G262	D75-R264 PolarHBondContact O-NH1 2.78Å; D75-R264 PolarHBondContact O-NH2 3.15Å; D75-R264 VanDerWaalsContact O-NH2 3.15Å; N260-R264 HydrophobicContact CB-CB 4.34Å; N260-R264 PolarHBondContact ND2-O 2.76Å; T261-R264 WeakPolarHBondContact O-CB 3.43Å; T261-R264 PolarHBondContact O-N 2.84Å; T261-R264 PolarHBondContact OG1-NH2 3.26Å; G262-R264 PolarHBondContact O-N 3.42Å; G262-R264 VanDerWaalsContact O-N 3.11Å
265	T	88	Confident	85.9	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-63.9	160.3	174.5	61.3	0	0	0	0	110.6	D202 F245 N260 G262 D263 M267 G268 R269	D202-T265 HydrophobicContact CB-CG2 4.47Å; D202-T265 WeakPolarHBondContact OD2-CA 3.32Å; D202-T265 WeakPolarHBondContact OD2-CB 3.32Å; F245-T265 HydrophobicContact CB-CG2 3.91Å; F245-T265 HydrophobicContact CG-CG2 4.32Å; N260-T265 HydrophobicContact CB-CG2 4.19Å; N260-T265 WeakPolarHBondContact O-CG2 3.42Å; G262-T265 WeakPolarHBondContact O-CB 3.32Å; G262-T265 WeakPolarHBondContact O-CG2 3.25Å; G262-T265 PolarHBondContact O-N 3.28Å; G262-T265 VanDerWaalsContact O-N 3.1Å; G262-T265 PolarHBondContact O-OG1 3.37Å; D263-T265 VanDerWaalsContact C-N 3.31Å; T265-M267 VanDerWaalsContact C-N 3.26Å; T265-M267 PolarHBondContact O-N 3.17Å; T265-G268 PolarHBondContact O-N 3.35Å; T265-G268 VanDerWaalsContact O-N 3.15Å; T265-G268 WeakPolarHBondContact OG1-CA 3.38Å; T265-G268 PolarHBondContact OG1-N 2.83Å; T265-R269 WeakPolarHBondContact O-CG 3.41Å; T265-R269 PolarHBondContact O-N 2.97Å
266	V	86.2	Confident	84.9	Confident	4 Å²	4	21.7 Å²	21.7	2%	0.024	12%	0.118	C	C	.	.	H	α-helix	trans	-54.4	-47	175.7	176.5	0	0	0	0	110.6	V39 L41 D202 L218 L237 F244 R269 I270	V39-V266 HydrophobicContact CG1-CG2 4.36Å; V39-V266 HydrophobicContact CG2-CG1 4.39Å; V39-V266 HydrophobicContact CG2-CG2 4.4Å; L41-V266 HydrophobicContact CD1-CG2 3.79Å; D202-V266 PolarHBondContact OD2-N 2.98Å; L218-V266 HydrophobicContact CD2-CB 4.34Å; L218-V266 HydrophobicContact CD2-CG1 3.79Å; L237-V266 HydrophobicContact CD2-CG1 4.08Å; F244-V266 HydrophobicContact CD1-CB 4.21Å; F244-V266 HydrophobicContact CD1-CG2 3.85Å; F244-V266 HydrophobicContact CE1-CG2 3.88Å; V266-R269 PolarHBondContact O-N 2.95Å; V266-I270 HydrophobicContact CG1-CD1 4.12Å; V266-I270 WeakPolarHBondContact O-CG1 3.2Å; V266-I270 PolarHBondContact O-N 2.88Å; V266-I270 VanDerWaalsContact O-N 3.15Å
267	M	81.8	Confident	84.1	Confident	6 Å²	6	22.4 Å²	22.4	3%	0.03	12%	0.121	C	C	.	.	H	α-helix	trans	-69.4	-36.2	178.2	-72.5	-69.8	-103.7	0	0	112.9	L218 F245 T265 R269 I270 A271 V719	L218-M267 HydrophobicContact CD1-CE 3.73Å; L218-M267 HydrophobicContact CD1-CG 3.66Å; L218-M267 HydrophobicContact CD1-SD 3.53Å; L218-M267 VanDerWaalsContact CD1-SD 3.53Å; L218-M267 HydrophobicContact CD2-CG 4.45Å; L218-M267 HydrophobicContact CG-CE 4.39Å; L218-M267 HydrophobicContact CG-CG 4.04Å; L218-M267 HydrophobicContact CG-SD 3.62Å; F245-M267 HydrophobicContact CD1-CB 3.89Å; F245-M267 WeakPolarHBondContact O-CG 3.45Å; T265-M267 VanDerWaalsContact C-N 3.26Å; T265-M267 PolarHBondContact O-N 3.17Å; M267-R269 VanDerWaalsContact C-N 3.34Å; M267-R269 PolarHBondContact O-N 2.93Å; M267-I270 PolarHBondContact O-N 2.9Å; M267-I270 HydrophobicContact SD-CD1 4.2Å; M267-A271 WeakPolarHBondContact O-CB 3.22Å; M267-A271 PolarHBondContact O-N 3.06Å; M267-V719 HydrophobicContact CE-CB 3.54Å; M267-V719 HydrophobicContact CE-CG1 3.67Å; M267-V719 HydrophobicContact CE-CG2 3.6Å; M267-V719 HydrophobicContact SD-CB 4.1Å; M267-V719 HydrophobicContact SD-CG1 3.78Å
268	G	80.5	Confident	83.1	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.7	-39.8	174.3	0	0	0	0	0	112.7	L80 D263 T265 A271 T272	L80-G268 VanDerWaalsContact CD2-CA 3.44Å; D263-G268 CarbonylContact O-C 3.11Å; D263-G268 VanDerWaalsContact O-C 3.24Å; T265-G268 PolarHBondContact O-N 3.35Å; T265-G268 VanDerWaalsContact O-N 3.15Å; T265-G268 WeakPolarHBondContact OG1-CA 3.38Å; T265-G268 PolarHBondContact OG1-N 2.83Å; G268-A271 PolarHBondContact O-N 3.1Å; G268-T272 VanDerWaalsContact O-CB 3.31Å; G268-T272 WeakPolarHBondContact O-CB 3.24Å; G268-T272 PolarHBondContact O-N 2.96Å; G268-T272 PolarHBondContact O-OG1 2.84Å
269	R	82.9	Confident	81.7	Confident	54 Å²	54	32.7 Å²	32.7	20%	0.204	18%	0.182	C	C	.	.	H	α-helix	trans	-63.8	-42.2	172.9	-72.1	-180	60.9	174.7	-5.3	112	L35 K37 D263 T265 V266 M267 T272 L273	L35-R269 HydrophobicContact CD2-CB 4.48Å; K37-R269 PolarHBondContact O-NH2 2.84Å; D263-R269 PolarHBondContact O-N 2.71Å; D263-R269 VanDerWaalsContact O-N 3.17Å; T265-R269 WeakPolarHBondContact O-CG 3.41Å; T265-R269 PolarHBondContact O-N 2.97Å; V266-R269 PolarHBondContact O-N 2.95Å; M267-R269 VanDerWaalsContact C-N 3.34Å; M267-R269 PolarHBondContact O-N 2.93Å; R269-T272 PolarHBondContact O-N 3.1Å; R269-L273 WeakPolarHBondContact O-CB 3.26Å; R269-L273 PolarHBondContact O-N 2.67Å
270	I	79.5	Confident	80.8	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-64.2	-45.2	176.9	-66	162	0	0	0	110.7	V266 M267 L273 A274 P695 V719 P723	V266-I270 HydrophobicContact CG1-CD1 4.12Å; V266-I270 WeakPolarHBondContact O-CG1 3.2Å; V266-I270 PolarHBondContact O-N 2.88Å; V266-I270 VanDerWaalsContact O-N 3.15Å; M267-I270 PolarHBondContact O-N 2.9Å; M267-I270 HydrophobicContact SD-CD1 4.2Å; I270-L273 PolarHBondContact O-N 3.3Å; I270-A274 WeakPolarHBondContact O-CB 3.45Å; I270-A274 PolarHBondContact O-N 3.4Å; I270-P695 HydrophobicContact CD1-CB 4.2Å; I270-P695 HydrophobicContact CD1-CG 3.76Å; I270-P695 HydrophobicContact CG1-CB 4.31Å; I270-P695 HydrophobicContact CG1-CG 4.39Å; I270-P695 HydrophobicContact CG2-CB 4.45Å; I270-V719 HydrophobicContact CG2-CG1 4.32Å; I270-P723 HydrophobicContact CG2-CG 3.84Å
271	A	76.6	Confident	80.4	Confident	18 Å²	18	39.4 Å²	39.4	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-64.4	-39.7	176.7	0	0	0	0	0	112	L80 M267 G268 A274 S275	L80-A271 HydrophobicContact CD1-CB 4.1Å; M267-A271 WeakPolarHBondContact O-CB 3.22Å; M267-A271 PolarHBondContact O-N 3.06Å; G268-A271 PolarHBondContact O-N 3.1Å; A271-A274 PolarHBondContact O-N 3.33Å; A271-S275 WeakPolarHBondContact O-CB 3.46Å; A271-S275 PolarHBondContact O-N 3.23Å; A271-S275 PolarHBondContact O-OG 2.94Å
272	T	78.1	Confident	80.4	Confident	46 Å²	46	39.9 Å²	39.9	28%	0.282	23%	0.229	S	C	.	.	H	α-helix	trans	-63.6	-45.9	174.6	-58	0	0	0	0	110.6	L35 G268 R269 S275 S276	L35-T272 HydrophobicContact CD1-CG2 4.4Å; G268-T272 VanDerWaalsContact O-CB 3.31Å; G268-T272 WeakPolarHBondContact O-CB 3.24Å; G268-T272 PolarHBondContact O-N 2.96Å; G268-T272 PolarHBondContact O-OG1 2.84Å; R269-T272 PolarHBondContact O-N 3.1Å; T272-S275 PolarHBondContact O-N 3.06Å; T272-S275 PolarHBondContact O-OG 3.44Å; T272-S276 VanDerWaalsContact O-CB 3.28Å; T272-S276 WeakPolarHBondContact O-CB 3.5Å; T272-S276 PolarHBondContact O-N 3.41Å; T272-S276 PolarHBondContact O-OG 3.04Å
273	L	81.4	Confident	80.7	Confident	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-59.9	-46.9	175.4	178.1	63.4	0	0	0	111.5	M32 L35 K36 R269 I270 S275 S276 L277 Q696 L699 P723	M32-L273 HydrophobicContact CE-CD1 3.86Å; L35-L273 HydrophobicContact CB-CD1 4.1Å; K36-L273 HydrophobicContact CG-CD1 4.18Å; R269-L273 WeakPolarHBondContact O-CB 3.26Å; R269-L273 PolarHBondContact O-N 2.67Å; I270-L273 PolarHBondContact O-N 3.3Å; L273-S275 VanDerWaalsContact C-N 3.3Å; L273-S275 PolarHBondContact O-N 3.34Å; L273-S276 PolarHBondContact O-N 3.29Å; L273-S276 PolarHBondContact O-OG 3.24Å; L273-L277 HydrophobicContact CD1-CD1 4.29Å; L273-L277 HydrophobicContact CD1-CG 4.26Å; L273-L277 HydrophobicContact CG-CD1 4.17Å; L273-L277 WeakPolarHBondContact O-CD1 3.37Å; L273-L277 WeakPolarHBondContact O-CG 3.08Å; L273-L277 PolarHBondContact O-N 3.19Å; L273-L277 VanDerWaalsContact O-N 3.09Å; L273-Q696 HydrophobicContact CD2-CG 4.35Å; L273-L699 HydrophobicContact CD2-CD2 4.2Å; L273-P723 HydrophobicContact CD2-CB 4.16Å; L273-P723 HydrophobicContact CD2-CG 4.23Å; L273-P723 HydrophobicContact CG-CB 4.39Å
274	A	76.8	Confident	81.1	Confident	7 Å²	7	37.7 Å²	37.7	6%	0.058	22%	0.217	C	C	.	.	H	α-helix	trans	-63.9	-34.6	178.8	0	0	0	0	0	112.5	I270 A271 P723 K726	I270-A274 WeakPolarHBondContact O-CB 3.45Å; I270-A274 PolarHBondContact O-N 3.4Å; A271-A274 PolarHBondContact O-N 3.33Å; A274-P723 HydrophobicContact CB-CG 4.43Å; A274-K726 VanDerWaalsContact O-CG 3.27Å; A274-K726 WeakPolarHBondContact O-CG 3.38Å
275	S	73.5	Confident	81.1	Confident	61 Å²	61	33.2 Å²	33.2	43%	0.427	20%	0.204	S	C	.	.	H	α-helix	trans	-81.9	-27.6	179.1	61.9	0	0	0	0	114	A271 T272 L273	A271-S275 WeakPolarHBondContact O-CB 3.46Å; A271-S275 PolarHBondContact O-N 3.23Å; A271-S275 PolarHBondContact O-OG 2.94Å; T272-S275 PolarHBondContact O-N 3.06Å; T272-S275 PolarHBondContact O-OG 3.44Å; L273-S275 VanDerWaalsContact C-N 3.3Å; L273-S275 PolarHBondContact O-N 3.34Å
276	S	73.9	Confident	81.3	Confident	48 Å²	48	36.8 Å²	36.8	34%	0.336	22%	0.223	S	C	.	.	H	α-helix	trans	-87	-15.2	179.5	64.2	0	0	0	0	113.9	M32 T272 L273 E278	M32-S276 VanDerWaalsContact CE-OG 3.24Å; M32-S276 WeakPolarHBondContact CE-OG 3.14Å; M32-S276 PolarHBondContact SD-OG 3Å; T272-S276 VanDerWaalsContact O-CB 3.28Å; T272-S276 WeakPolarHBondContact O-CB 3.5Å; T272-S276 PolarHBondContact O-N 3.41Å; T272-S276 PolarHBondContact O-OG 3.04Å; L273-S276 PolarHBondContact O-N 3.29Å; L273-S276 PolarHBondContact O-OG 3.24Å; S276-E278 PolarHBondContact O-N 2.87Å
277	L	78.8	Confident	81.6	Confident	15 Å²	15	36.7 Å²	36.7	8%	0.079	22%	0.222	C	C	.	.	S	Bend	trans	-67.1	119.5	171.8	-78.2	165.3	0	0	0	110.5	M32 L273 G279 L699 P723 K726	M32-L277 HydrophobicContact CE-CD2 4.15Å; M32-L277 HydrophobicContact CE-CG 4.28Å; L273-L277 HydrophobicContact CD1-CD1 4.29Å; L273-L277 HydrophobicContact CD1-CG 4.26Å; L273-L277 HydrophobicContact CG-CD1 4.17Å; L273-L277 WeakPolarHBondContact O-CD1 3.37Å; L273-L277 WeakPolarHBondContact O-CG 3.08Å; L273-L277 PolarHBondContact O-N 3.19Å; L273-L277 VanDerWaalsContact O-N 3.09Å; L277-G279 PolarHBondContact O-N 2.9Å; L277-L699 HydrophobicContact CD1-CD1 4Å; L277-L699 HydrophobicContact CD1-CD2 3.94Å; L277-L699 HydrophobicContact CD2-CD2 4.4Å; L277-P723 HydrophobicContact CD1-CB 4.13Å; L277-K726 HydrophobicContact CB-CG 4.09Å
278	E	74.7	Confident	81.9	Confident	169 Å²	169	37.8 Å²	37.8	79%	0.79	23%	0.228	S	C	*	.	P	Polyproline II helix	trans	-71.7	125.1	169.8	-67.8	-175.7	171.9	0	0	109.7	S276	S276-E278 PolarHBondContact O-N 2.87Å
279	G	66.4	Low	82.3	Confident	47 Å²	47	41.1 Å²	41.1	49%	0.485	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-65.1	136.8	165.1	0	0	0	0	0	109.6	L277	L277-G279 PolarHBondContact O-N 2.9Å
280	G	76.4	Confident	82.7	Confident	57 Å²	57	41.7 Å²	41.7	59%	0.588	25%	0.248	S	C	*	.	P	Polyproline II helix	trans	-67.5	173.6	174	0	0	0	0	0	112.3
281	K	85.4	Confident	83.1	Confident	121 Å²	121	41.8 Å²	41.8	53%	0.526	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-67.7	135.1	165.4	-69.2	-177.3	174.8	-179.1	0	108.5	I286 E289	K281-I286 HydrophobicContact CB-CD1 4.2Å; K281-I286 HydrophobicContact CB-CG1 3.79Å; K281-I286 HydrophobicContact CD-CG1 4.46Å; K281-E289 IonicContact NZ-OE1 3.6Å; K281-E289 PolarHBondContact NZ-OE1 2.93Å; K281-E289 IonicContact NZ-OE2 2.71Å; K281-E289 PolarHBondContact NZ-OE2 3.18Å
282	T	90.8	Very high	83.6	Confident	13 Å²	13	41.9 Å²	41.9	8%	0.08	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-66.2	157.5	175.7	64.7	0	0	0	0	110.9	I284 A285 I286 E362	T282-I284 VanDerWaalsContact C-N 3.31Å; T282-I284 PolarHBondContact O-N 3.36Å; T282-I284 WeakPolarHBondContact OG1-CG2 3.47Å; T282-A285 PolarHBondContact O-N 2.92Å; T282-A285 WeakPolarHBondContact OG1-CB 3.23Å; T282-A285 PolarHBondContact OG1-N 3.48Å; T282-A285 VanDerWaalsContact OG1-N 3.14Å; T282-I286 WeakPolarHBondContact O-CG1 3.04Å; T282-I286 PolarHBondContact O-N 2.92Å; T282-E362 HydrophobicContact CG2-CB 3.89Å; T282-E362 VanDerWaalsContact CG2-OE2 3.3Å; T282-E362 WeakPolarHBondContact CG2-OE2 3.28Å; T282-E362 PolarHBondContact OG1-OE2 2.78Å
283	P	92.9	Very high	84.2	Confident	6 Å²	6	45.3 Å²	45.3	4%	0.039	26%	0.259	C	S	.	.	H	α-helix	trans	-56.1	-44.9	176.4	-26.2	35.9	0	0	0	112.3	A285 I286 E287 T366 I711	P283-A285 PolarHBondContact O-N 2.97Å; P283-I286 PolarHBondContact O-N 3.42Å; P283-E287 WeakPolarHBondContact O-CG 3.23Å; P283-E287 PolarHBondContact O-N 3.26Å; P283-T366 HydrophobicContact CG-CG2 3.99Å; P283-I711 HydrophobicContact CG-CD1 3.99Å; P283-I711 HydrophobicContact CG-CG1 4.32Å; P283-I711 HydrophobicContact CG-CG2 3.96Å
284	I	91.4	Very high	84.6	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.4	-38.2	177.9	-169	60.5	0	0	0	112.9	T282 I286 E287 I288 E362 E365 L772 L844	T282-I284 VanDerWaalsContact C-N 3.31Å; T282-I284 PolarHBondContact O-N 3.36Å; T282-I284 WeakPolarHBondContact OG1-CG2 3.47Å; I284-I286 VanDerWaalsContact C-N 3.33Å; I284-I286 PolarHBondContact O-N 3.47Å; I284-E287 PolarHBondContact O-N 3.15Å; I284-I288 HydrophobicContact CG1-CD1 4.12Å; I284-I288 HydrophobicContact CG1-CG1 4.47Å; I284-I288 VanDerWaalsContact O-CG1 3.31Å; I284-I288 WeakPolarHBondContact O-CG1 3.25Å; I284-I288 PolarHBondContact O-N 3.17Å; I284-E362 HydrophobicContact CG2-CB 3.52Å; I284-E362 HydrophobicContact CG2-CG 3.85Å; I284-E365 HydrophobicContact CB-CB 4.12Å; I284-E365 HydrophobicContact CB-CG 4.2Å; I284-E365 HydrophobicContact CD1-CG 4.28Å; I284-E365 HydrophobicContact CG1-CB 4.47Å; I284-E365 HydrophobicContact CG1-CG 4.5Å; I284-E365 HydrophobicContact CG2-CB 4.46Å; I284-E365 PolarHBondContact N-OE2 3.36Å; I284-L772 HydrophobicContact CD1-CD1 4.05Å; I284-L844 HydrophobicContact CD1-CD2 3.93Å
285	A	88.1	Confident	85.2	Confident	21 Å²	21	47.3 Å²	47.3	17%	0.174	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-39.7	175.7	0	0	0	0	0	112	T282 P283 E287 I288 E289	T282-A285 PolarHBondContact O-N 2.92Å; T282-A285 WeakPolarHBondContact OG1-CB 3.23Å; T282-A285 PolarHBondContact OG1-N 3.48Å; T282-A285 VanDerWaalsContact OG1-N 3.14Å; P283-A285 PolarHBondContact O-N 2.97Å; A285-E287 VanDerWaalsContact C-N 3.32Å; A285-I288 PolarHBondContact O-N 3.17Å; A285-E289 WeakPolarHBondContact O-CB 3.47Å; A285-E289 PolarHBondContact O-N 3.44Å
286	I	91.5	Very high	85.8	Confident	74 Å²	74	46.2 Å²	46.2	38%	0.379	26%	0.259	S	S	.	.	H	α-helix	trans	-63	-41	174.4	-65.4	167.2	0	0	0	110.6	K281 T282 P283 I284 E289 H290	K281-I286 HydrophobicContact CB-CD1 4.2Å; K281-I286 HydrophobicContact CB-CG1 3.79Å; K281-I286 HydrophobicContact CD-CG1 4.46Å; T282-I286 WeakPolarHBondContact O-CG1 3.04Å; T282-I286 PolarHBondContact O-N 2.92Å; P283-I286 PolarHBondContact O-N 3.42Å; I284-I286 VanDerWaalsContact C-N 3.33Å; I284-I286 PolarHBondContact O-N 3.47Å; I286-E289 PolarHBondContact O-N 3.2Å; I286-H290 WeakPolarHBondContact O-CB 3.1Å; I286-H290 PolarHBondContact O-N 3.25Å
287	E	92.8	Very high	86.6	Confident	2 Å²	2	46 Å²	46	1%	0.009	26%	0.264	C	S	.	.	H	α-helix	trans	-66.4	-40.3	176.8	-68	-56.9	145.8	0	0	112.4	P283 I284 A285 H290 F291 F769 R837 K843 L844	P283-E287 WeakPolarHBondContact O-CG 3.23Å; P283-E287 PolarHBondContact O-N 3.26Å; I284-E287 PolarHBondContact O-N 3.15Å; A285-E287 VanDerWaalsContact C-N 3.32Å; E287-H290 PolarHBondContact O-N 3.27Å; E287-F291 WeakPolarHBondContact O-CB 3.08Å; E287-F291 PolarHBondContact O-N 3.12Å; E287-F769 HydrophobicContact CG-CE2 4.45Å; E287-R837 IonicContact OE1-NH1 3.29Å; E287-R837 PolarHBondContact OE1-NH1 3.34Å; E287-R837 VanDerWaalsContact OE1-NH1 3.13Å; E287-K843 VanDerWaalsContact OE1-CD 3.29Å; E287-K843 WeakPolarHBondContact OE1-CD 3.18Å; E287-K843 IonicContact OE1-NZ 2.77Å; E287-K843 PolarHBondContact OE1-NZ 3.04Å; E287-K843 VanDerWaalsContact OE2-CA 3.31Å; E287-K843 WeakPolarHBondContact OE2-CA 3.28Å; E287-K843 WeakPolarHBondContact OE2-CD 3.35Å; E287-L844 HydrophobicContact CB-CB 3.72Å; E287-L844 HydrophobicContact CB-CD2 4.15Å; E287-L844 HydrophobicContact CG-CB 4.08Å; E287-L844 PolarHBondContact OE2-N 3.32Å
288	I	88.1	Confident	87.2	Confident	30 Å²	30	47.3 Å²	47.3	15%	0.154	27%	0.272	C	S	.	.	H	α-helix	trans	-63.1	-43.3	174.7	-69.6	167.7	0	0	0	110.6	I284 A285 F291 I292 V340	I284-I288 HydrophobicContact CG1-CD1 4.12Å; I284-I288 HydrophobicContact CG1-CG1 4.47Å; I284-I288 VanDerWaalsContact O-CG1 3.31Å; I284-I288 WeakPolarHBondContact O-CG1 3.25Å; I284-I288 PolarHBondContact O-N 3.17Å; A285-I288 PolarHBondContact O-N 3.17Å; I288-F291 WeakPolarHBondContact O-CB 3.39Å; I288-F291 PolarHBondContact O-N 2.85Å; I288-I292 HydrophobicContact CG2-CD1 3.7Å; I288-I292 HydrophobicContact CG2-CG1 4.43Å; I288-I292 WeakPolarHBondContact O-CD1 3.19Å; I288-I292 VanDerWaalsContact O-CG1 3.23Å; I288-I292 WeakPolarHBondContact O-CG1 3.4Å; I288-I292 PolarHBondContact O-N 3.01Å; I288-V340 HydrophobicContact CD1-CG1 4.2Å
289	E	88	Confident	87.8	Confident	70 Å²	70	39.2 Å²	39.2	33%	0.327	24%	0.235	S	C	.	.	H	α-helix	trans	-64.4	-43.3	177.2	-177.8	176.2	-164.4	0	0	112.2	K281 A285 I286 F291 I292 H293	K281-E289 IonicContact NZ-OE1 3.6Å; K281-E289 PolarHBondContact NZ-OE1 2.93Å; K281-E289 IonicContact NZ-OE2 2.71Å; K281-E289 PolarHBondContact NZ-OE2 3.18Å; A285-E289 WeakPolarHBondContact O-CB 3.47Å; A285-E289 PolarHBondContact O-N 3.44Å; I286-E289 PolarHBondContact O-N 3.2Å; E289-F291 VanDerWaalsContact C-N 3.33Å; E289-F291 PolarHBondContact O-N 3.29Å; E289-I292 PolarHBondContact O-N 3.49Å; E289-H293 PolarHBondContact O-N 2.76Å; E289-H293 PolarHBondContact O-ND1 3.38Å; E289-H293 IonicContact OE1-CE1 3.22Å
290	H	91.2	Very high	88.9	Confident	65 Å²	65	40.2 Å²	40.2	30%	0.301	23%	0.231	S	C	.	.	H	α-helix	trans	-59.4	-46.2	174.5	176.6	-150.5	0	0	0	111.5	I286 E287 H293 I294	I286-H290 WeakPolarHBondContact O-CB 3.1Å; I286-H290 PolarHBondContact O-N 3.25Å; E287-H290 PolarHBondContact O-N 3.27Å; H290-H293 PolarHBondContact O-N 3.32Å; H290-I294 PolarHBondContact O-N 3.48Å; H290-I294 VanDerWaalsContact O-N 3.16Å
291	F	88.7	Confident	89.7	Confident	6 Å²	6	44.1 Å²	44.1	3%	0.026	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-48.4	175.3	160.9	-122.9	0	0	0	112.2	F100 E287 I288 E289 H293 I294 I295 P333 L336 I776 L780 V845	F100-F291 AromaticContact CE2-CD1 4Å; F100-F291 HydrophobicContact CE2-CD1 4Å; F100-F291 AromaticContact CE2-CE1 3.44Å; F100-F291 HydrophobicContact CE2-CE1 3.44Å; F100-F291 VanDerWaalsContact CE2-CE1 3.44Å; F100-F291 HydrophobicContact CE2-CZ 4.22Å; F100-F291 AromaticContact CZ-CD1 3.96Å; F100-F291 HydrophobicContact CZ-CD1 3.96Å; F100-F291 AromaticContact CZ-CE1 3.32Å; F100-F291 HydrophobicContact CZ-CE1 3.32Å; F100-F291 AromaticContact CZ-CZ 3.67Å; F100-F291 HydrophobicContact CZ-CZ 3.67Å; E287-F291 WeakPolarHBondContact O-CB 3.08Å; E287-F291 PolarHBondContact O-N 3.12Å; I288-F291 WeakPolarHBondContact O-CB 3.39Å; I288-F291 PolarHBondContact O-N 2.85Å; E289-F291 VanDerWaalsContact C-N 3.33Å; E289-F291 PolarHBondContact O-N 3.29Å; F291-H293 VanDerWaalsContact C-N 3.27Å; F291-H293 PolarHBondContact O-N 2.59Å; F291-I294 PolarHBondContact O-N 3.26Å; F291-I294 VanDerWaalsContact O-N 3.13Å; F291-I295 HydrophobicContact CD2-CD1 4.48Å; F291-I295 HydrophobicContact CD2-CG1 3.76Å; F291-I295 HydrophobicContact CE2-CB 4.47Å; F291-I295 HydrophobicContact CE2-CD1 3.81Å; F291-I295 HydrophobicContact CE2-CG1 3.17Å; F291-I295 HydrophobicContact CZ-CG1 3.8Å; F291-I295 PolarHBondContact O-N 3.08Å; F291-I295 VanDerWaalsContact O-N 3.09Å; F291-P333 HydrophobicContact CZ-CG 4.4Å; F291-L336 HydrophobicContact CE1-CD2 3.38Å; F291-L336 HydrophobicContact CE1-CG 4.44Å; F291-L336 HydrophobicContact CE2-CD2 4.37Å; F291-L336 HydrophobicContact CZ-CD2 3.22Å; F291-I776 HydrophobicContact CE2-CG2 4.3Å; F291-I776 HydrophobicContact CZ-CG2 4.42Å; F291-L780 HydrophobicContact CE2-CD1 3.85Å; F291-L780 HydrophobicContact CE2-CD2 4.12Å; F291-L780 HydrophobicContact CE2-CG 4.45Å; F291-L780 HydrophobicContact CZ-CD2 4.24Å; F291-V845 HydrophobicContact CB-CB 4.21Å; F291-V845 HydrophobicContact CB-CG2 3.99Å; F291-V845 HydrophobicContact CD2-CB 3.99Å; F291-V845 HydrophobicContact CD2-CG1 4.06Å; F291-V845 HydrophobicContact CD2-CG2 3.56Å; F291-V845 HydrophobicContact CE2-CG2 4.27Å; F291-V845 HydrophobicContact CG-CB 4.45Å; F291-V845 HydrophobicContact CG-CG2 3.89Å
292	I	87.3	Confident	90	Very high	21 Å²	21	40 Å²	40	11%	0.108	22%	0.216	C	C	.	.	H	α-helix	trans	-56.8	-42.1	177.1	-72.1	160.3	0	0	0	111	F100 I288 E289 I294 I295 T296	F100-I292 HydrophobicContact CD1-CG1 4.38Å; F100-I292 HydrophobicContact CD2-CD1 4.05Å; F100-I292 HydrophobicContact CD2-CG1 3.7Å; F100-I292 HydrophobicContact CE1-CG1 4.06Å; F100-I292 HydrophobicContact CE2-CD1 4.05Å; F100-I292 HydrophobicContact CE2-CG1 3.31Å; F100-I292 HydrophobicContact CG-CG1 4.22Å; F100-I292 HydrophobicContact CZ-CB 4.33Å; F100-I292 HydrophobicContact CZ-CG1 3.51Å; I288-I292 HydrophobicContact CG2-CD1 3.7Å; I288-I292 HydrophobicContact CG2-CG1 4.43Å; I288-I292 WeakPolarHBondContact O-CD1 3.19Å; I288-I292 VanDerWaalsContact O-CG1 3.23Å; I288-I292 WeakPolarHBondContact O-CG1 3.4Å; I288-I292 PolarHBondContact O-N 3.01Å; E289-I292 PolarHBondContact O-N 3.49Å; I292-I294 PolarHBondContact O-N 3.48Å; I292-I295 PolarHBondContact O-N 3.07Å; I292-T296 VanDerWaalsContact O-CB 3.23Å; I292-T296 WeakPolarHBondContact O-CB 3.5Å; I292-T296 PolarHBondContact O-N 3.12Å; I292-T296 PolarHBondContact O-OG1 3.44Å
293	H	89.3	Confident	89.9	Confident	117 Å²	117	39.4 Å²	39.4	54%	0.542	21%	0.212	S	C	.	.	H	α-helix	trans	-63.2	-40.3	178.1	-68.5	148	0	0	0	112.8	E289 H290 F291 G297	E289-H293 PolarHBondContact O-N 2.76Å; E289-H293 PolarHBondContact O-ND1 3.38Å; E289-H293 IonicContact OE1-CE1 3.22Å; H290-H293 PolarHBondContact O-N 3.32Å; F291-H293 VanDerWaalsContact C-N 3.27Å; F291-H293 PolarHBondContact O-N 2.59Å; H293-G297 PolarHBondContact O-N 3.18Å
294	I	90.8	Very high	89.8	Confident	49 Å²	49	42.3 Å²	42.3	25%	0.251	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-52.8	176.9	-66.3	172.2	0	0	0	110.2	H290 F291 I292 T296 G297 V298 I850	H290-I294 PolarHBondContact O-N 3.48Å; H290-I294 VanDerWaalsContact O-N 3.16Å; F291-I294 PolarHBondContact O-N 3.26Å; F291-I294 VanDerWaalsContact O-N 3.13Å; I292-I294 PolarHBondContact O-N 3.48Å; I294-T296 PolarHBondContact O-N 2.96Å; I294-G297 PolarHBondContact O-N 3.45Å; I294-G297 VanDerWaalsContact O-N 3.16Å; I294-V298 PolarHBondContact O-N 3.11Å; I294-I850 HydrophobicContact CG2-CG1 4.43Å
295	I	88.7	Confident	89.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-64	-44.4	-177.3	-63.1	-55.5	0	0	0	111.2	F100 F291 I292 G297 V298 A299 N331 L780 I850	F100-I295 HydrophobicContact CE1-CB 4.45Å; F100-I295 HydrophobicContact CE1-CG2 4.27Å; F291-I295 HydrophobicContact CD2-CD1 4.48Å; F291-I295 HydrophobicContact CD2-CG1 3.76Å; F291-I295 HydrophobicContact CE2-CB 4.47Å; F291-I295 HydrophobicContact CE2-CD1 3.81Å; F291-I295 HydrophobicContact CE2-CG1 3.17Å; F291-I295 HydrophobicContact CZ-CG1 3.8Å; F291-I295 PolarHBondContact O-N 3.08Å; F291-I295 VanDerWaalsContact O-N 3.09Å; I292-I295 PolarHBondContact O-N 3.07Å; I295-G297 VanDerWaalsContact C-N 3.26Å; I295-G297 PolarHBondContact O-N 2.93Å; I295-V298 PolarHBondContact O-N 3.49Å; I295-A299 VanDerWaalsContact O-CB 3.28Å; I295-A299 WeakPolarHBondContact O-CB 3.49Å; I295-A299 PolarHBondContact O-N 2.9Å; I295-N331 WeakPolarHBondContact CG2-O 3.21Å; I295-L780 HydrophobicContact CD1-CD1 4.31Å; I295-L780 HydrophobicContact CD1-CD2 3.77Å; I295-L780 HydrophobicContact CG1-CD2 4.36Å; I295-I850 HydrophobicContact CD1-CD1 4.37Å
296	T	87.5	Confident	90.1	Very high	38 Å²	38	45 Å²	45	23%	0.233	24%	0.243	C	C	.	.	H	α-helix	trans	-60.6	-40	175.7	-54.5	0	0	0	0	110.9	I292 I294 A299 V300	I292-T296 VanDerWaalsContact O-CB 3.23Å; I292-T296 WeakPolarHBondContact O-CB 3.5Å; I292-T296 PolarHBondContact O-N 3.12Å; I292-T296 PolarHBondContact O-OG1 3.44Å; I294-T296 PolarHBondContact O-N 2.96Å; T296-A299 PolarHBondContact O-N 3.12Å; T296-V300 HydrophobicContact CG2-CG2 4.18Å; T296-V300 WeakPolarHBondContact O-CB 3.23Å; T296-V300 VanDerWaalsContact O-CG2 3.28Å; T296-V300 WeakPolarHBondContact O-CG2 3.4Å; T296-V300 PolarHBondContact O-N 2.69Å
297	G	90.3	Very high	90	Very high	43 Å²	43	43.1 Å²	43.1	44%	0.443	23%	0.232	S	C	.	.	H	α-helix	trans	-59.1	-48	175.6	0	0	0	0	0	112.6	H293 I294 I295 F301	H293-G297 PolarHBondContact O-N 3.18Å; I294-G297 PolarHBondContact O-N 3.45Å; I294-G297 VanDerWaalsContact O-N 3.16Å; I295-G297 VanDerWaalsContact C-N 3.26Å; I295-G297 PolarHBondContact O-N 2.93Å; G297-F301 WeakPolarHBondContact O-CB 3.18Å; G297-F301 PolarHBondContact O-N 2.8Å
298	V	90.3	Very high	90	Very high	43 Å²	43	47.1 Å²	47.1	26%	0.261	25%	0.253	S	S	.	.	H	α-helix	trans	-66.1	-45.1	177	176.2	0	0	0	0	111.4	I294 I295 V300 F301 L302 Y854	I294-V298 PolarHBondContact O-N 3.11Å; I295-V298 PolarHBondContact O-N 3.49Å; V298-V300 PolarHBondContact O-N 2.84Å; V298-F301 PolarHBondContact O-N 2.89Å; V298-L302 HydrophobicContact CG1-CD1 3.87Å; V298-L302 HydrophobicContact CG1-CG 4.3Å; V298-L302 WeakPolarHBondContact O-CB 3.25Å; V298-L302 WeakPolarHBondContact O-CG 3.46Å; V298-L302 PolarHBondContact O-N 3.32Å; V298-Y854 HydrophobicContact CG1-CE2 4.25Å
299	A	88.3	Confident	90.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.7	-48.7	179.6	0	0	0	0	0	112	I295 T296 G303 N331	I295-A299 VanDerWaalsContact O-CB 3.28Å; I295-A299 WeakPolarHBondContact O-CB 3.49Å; I295-A299 PolarHBondContact O-N 2.9Å; T296-A299 PolarHBondContact O-N 3.12Å; A299-G303 PolarHBondContact O-N 3.35Å; A299-N331 HydrophobicContact CB-CB 3.48Å; A299-N331 VanDerWaalsContact CB-CB 3.48Å
300	V	89.1	Confident	90.3	Very high	67 Å²	67	45.2 Å²	45.2	41%	0.406	25%	0.245	S	C	.	.	H	α-helix	trans	-69.3	-40.3	178.9	173.9	0	0	0	0	110.8	T296 V298 G303 V304	T296-V300 HydrophobicContact CG2-CG2 4.18Å; T296-V300 WeakPolarHBondContact O-CB 3.23Å; T296-V300 VanDerWaalsContact O-CG2 3.28Å; T296-V300 WeakPolarHBondContact O-CG2 3.4Å; T296-V300 PolarHBondContact O-N 2.69Å; V298-V300 PolarHBondContact O-N 2.84Å; V300-G303 PolarHBondContact O-N 2.65Å; V300-V304 HydrophobicContact CG1-CG2 4.11Å; V300-V304 WeakPolarHBondContact O-CB 3.22Å; V300-V304 WeakPolarHBondContact O-CG2 3.29Å; V300-V304 PolarHBondContact O-N 2.85Å
301	F	93.3	Very high	90.4	Very high	139 Å²	139	45.1 Å²	45.1	61%	0.61	25%	0.247	S	C	*	.	H	α-helix	trans	-60.2	-50.8	177.3	172.3	-103.6	0	0	0	111.8	G297 V298 S305	G297-F301 WeakPolarHBondContact O-CB 3.18Å; G297-F301 PolarHBondContact O-N 2.8Å; V298-F301 PolarHBondContact O-N 2.89Å; F301-S305 WeakPolarHBondContact O-CB 3.42Å; F301-S305 PolarHBondContact O-N 2.79Å; F301-S305 PolarHBondContact O-OG 3.03Å
302	L	91.4	Very high	90.6	Very high	35 Å²	35	51 Å²	51	18%	0.183	28%	0.277	C	S	.	.	H	α-helix	trans	-65.2	-47.1	177.5	-69.5	177.4	0	0	0	111	V298 V304 S305 F306 I327	V298-L302 HydrophobicContact CG1-CD1 3.87Å; V298-L302 HydrophobicContact CG1-CG 4.3Å; V298-L302 WeakPolarHBondContact O-CB 3.25Å; V298-L302 WeakPolarHBondContact O-CG 3.46Å; V298-L302 PolarHBondContact O-N 3.32Å; L302-V304 PolarHBondContact O-N 3.35Å; L302-S305 PolarHBondContact O-N 3.29Å; L302-F306 HydrophobicContact CD2-CE2 4.36Å; L302-F306 WeakPolarHBondContact O-CB 3.4Å; L302-F306 WeakPolarHBondContact O-CD2 3.28Å; L302-F306 PolarHBondContact O-N 2.93Å; L302-I327 HydrophobicContact CB-CG2 4.04Å
303	G	89.3	Confident	90.7	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-56.2	-52.2	179.7	0	0	0	0	0	112.7	A299 V300 F307 L324	A299-G303 PolarHBondContact O-N 3.35Å; V300-G303 PolarHBondContact O-N 2.65Å; G303-F307 VanDerWaalsContact O-CB 3.24Å; G303-F307 WeakPolarHBondContact O-CB 3.47Å; G303-F307 PolarHBondContact O-N 3.22Å; G303-L324 WeakPolarHBondContact O-CD1 3.2Å
304	V	91	Very high	90.7	Very high	67 Å²	67	51.6 Å²	51.6	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-69.3	-39.7	-179.3	175.3	0	0	0	0	111.7	V300 L302 F306 F307 I308	V300-V304 HydrophobicContact CG1-CG2 4.11Å; V300-V304 WeakPolarHBondContact O-CB 3.22Å; V300-V304 WeakPolarHBondContact O-CG2 3.29Å; V300-V304 PolarHBondContact O-N 2.85Å; L302-V304 PolarHBondContact O-N 3.35Å; V304-F306 PolarHBondContact O-N 2.84Å; V304-F307 WeakPolarHBondContact O-CB 3.48Å; V304-F307 PolarHBondContact O-N 2.89Å; V304-I308 HydrophobicContact CG1-CD1 3.94Å; V304-I308 HydrophobicContact CG1-CG1 4.49Å; V304-I308 WeakPolarHBondContact O-CG1 3.46Å; V304-I308 PolarHBondContact O-N 3.19Å
305	S	93.4	Very high	90.5	Very high	48 Å²	48	50.5 Å²	50.5	34%	0.336	29%	0.292	S	S	.	.	H	α-helix	trans	-62.7	-44.4	179.1	-60.8	0	0	0	0	111.4	F301 L302 I308 L309	F301-S305 WeakPolarHBondContact O-CB 3.42Å; F301-S305 PolarHBondContact O-N 2.79Å; F301-S305 PolarHBondContact O-OG 3.03Å; L302-S305 PolarHBondContact O-N 3.29Å; S305-I308 PolarHBondContact O-N 2.83Å; S305-L309 WeakPolarHBondContact O-CB 3.45Å; S305-L309 PolarHBondContact O-N 3.13Å
306	F	91.2	Very high	90.3	Very high	29 Å²	29	52.1 Å²	52.1	13%	0.127	31%	0.309	C	S	.	.	H	α-helix	trans	-75.9	-28.3	177.9	-83.6	-100	0	0	0	113	L302 V304 L309 S310 I327 L791 I794 I795	L302-F306 HydrophobicContact CD2-CE2 4.36Å; L302-F306 WeakPolarHBondContact O-CB 3.4Å; L302-F306 WeakPolarHBondContact O-CD2 3.28Å; L302-F306 PolarHBondContact O-N 2.93Å; V304-F306 PolarHBondContact O-N 2.84Å; F306-L309 HydrophobicContact CD1-CD2 4.24Å; F306-L309 HydrophobicContact CE1-CD2 4.23Å; F306-L309 PolarHBondContact O-N 3.04Å; F306-S310 VanDerWaalsContact O-CB 3.3Å; F306-S310 WeakPolarHBondContact O-CB 3.06Å; F306-S310 PolarHBondContact O-N 3.36Å; F306-S310 PolarHBondContact O-OG 3.18Å; F306-I327 HydrophobicContact CB-CD1 3.41Å; F306-I327 VanDerWaalsContact CB-CD1 3.41Å; F306-I327 HydrophobicContact CD1-CD1 4.44Å; F306-I327 HydrophobicContact CG-CD1 3.98Å; F306-L791 HydrophobicContact CD1-CB 4.49Å; F306-L791 HydrophobicContact CD1-CD2 3.68Å; F306-L791 HydrophobicContact CD2-CD2 3.92Å; F306-L791 HydrophobicContact CE1-CB 3.71Å; F306-L791 HydrophobicContact CE1-CD1 4.4Å; F306-L791 HydrophobicContact CE1-CD2 3.53Å; F306-L791 HydrophobicContact CE1-CG 4.03Å; F306-L791 HydrophobicContact CE2-CD1 4.22Å; F306-L791 HydrophobicContact CE2-CD2 3.8Å; F306-L791 HydrophobicContact CE2-CG 4.5Å; F306-L791 HydrophobicContact CG-CD2 3.87Å; F306-L791 HydrophobicContact CZ-CB 3.96Å; F306-L791 HydrophobicContact CZ-CD1 3.85Å; F306-L791 HydrophobicContact CZ-CD2 3.61Å; F306-L791 HydrophobicContact CZ-CG 3.98Å; F306-I794 HydrophobicContact CD1-CD1 4.31Å; F306-I795 HydrophobicContact CE1-CD1 3.63Å; F306-I795 HydrophobicContact CE1-CG1 4.03Å; F306-I795 HydrophobicContact CZ-CD1 4.05Å
307	F	90.6	Very high	90.1	Very high	35 Å²	35	59 Å²	59	15%	0.154	33%	0.331	C	S	.	.	H	α-helix	trans	-59	-51.5	167.9	176	-97.8	0	0	0	110.9	G303 V304 L309 S310 L311 W317 A320 V321 L324	G303-F307 VanDerWaalsContact O-CB 3.24Å; G303-F307 WeakPolarHBondContact O-CB 3.47Å; G303-F307 PolarHBondContact O-N 3.22Å; V304-F307 WeakPolarHBondContact O-CB 3.48Å; V304-F307 PolarHBondContact O-N 2.89Å; F307-L309 VanDerWaalsContact C-N 3.34Å; F307-L309 PolarHBondContact O-N 3.32Å; F307-S310 PolarHBondContact O-N 2.79Å; F307-S310 PolarHBondContact O-OG 2.96Å; F307-L311 HydrophobicContact CD1-CD1 4.21Å; F307-L311 HydrophobicContact CE1-CD1 3.6Å; F307-L311 HydrophobicContact CE1-CG 4.49Å; F307-L311 HydrophobicContact CZ-CD1 3.84Å; F307-L311 HydrophobicContact CZ-CG 4.49Å; F307-L311 PolarHBondContact O-N 2.93Å; F307-L311 VanDerWaalsContact O-N 3.12Å; F307-W317 HydrophobicContact CZ-CZ2 4.46Å; F307-A320 HydrophobicContact CD2-CB 3.71Å; F307-A320 WeakPolarHBondContact CD2-O 3.42Å; F307-A320 HydrophobicContact CE2-CB 3.53Å; F307-A320 HydrophobicContact CZ-CB 4.4Å; F307-V321 HydrophobicContact CE2-CG2 3.91Å; F307-L324 HydrophobicContact CB-CB 4.38Å; F307-L324 HydrophobicContact CB-CD1 4.4Å; F307-L324 HydrophobicContact CD2-CB 4.1Å; F307-L324 HydrophobicContact CD2-CD2 4.32Å
308	I	93.1	Very high	89.5	Confident	87 Å²	87	59.2 Å²	59.2	45%	0.446	32%	0.322	S	S	.	.	H	α-helix	trans	-62.4	-44.1	177.5	-65.2	166.7	0	0	0	110.4	V304 S305 S310 L311 I312	V304-I308 HydrophobicContact CG1-CD1 3.94Å; V304-I308 HydrophobicContact CG1-CG1 4.49Å; V304-I308 WeakPolarHBondContact O-CG1 3.46Å; V304-I308 PolarHBondContact O-N 3.19Å; S305-I308 PolarHBondContact O-N 2.83Å; I308-S310 VanDerWaalsContact C-N 3.31Å; I308-S310 PolarHBondContact O-N 2.78Å; I308-L311 PolarHBondContact O-N 3.46Å; I308-I312 HydrophobicContact CG2-CD1 3.93Å; I308-I312 WeakPolarHBondContact O-CG1 3.37Å; I308-I312 PolarHBondContact O-N 3.35Å
309	L	92.2	Very high	88.9	Confident	60 Å²	60	61.2 Å²	61.2	31%	0.314	33%	0.329	S	S	.	.	H	α-helix	trans	-60.5	-41.2	177.6	-172.2	66.5	0	0	0	111.7	S305 F306 F307 L311 I312 L313 I795	S305-L309 WeakPolarHBondContact O-CB 3.45Å; S305-L309 PolarHBondContact O-N 3.13Å; F306-L309 HydrophobicContact CD1-CD2 4.24Å; F306-L309 HydrophobicContact CE1-CD2 4.23Å; F306-L309 PolarHBondContact O-N 3.04Å; F307-L309 VanDerWaalsContact C-N 3.34Å; F307-L309 PolarHBondContact O-N 3.32Å; L309-L311 PolarHBondContact O-N 2.65Å; L309-I312 WeakPolarHBondContact O-CB 3.49Å; L309-I312 PolarHBondContact O-N 3.13Å; L309-I312 VanDerWaalsContact O-N 3.17Å; L309-L313 HydrophobicContact CG-CD1 4.13Å; L309-L313 HydrophobicContact CG-CG 4.49Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.35Å; L309-I795 HydrophobicContact CD2-CD1 4.43Å; L309-I795 HydrophobicContact CD2-CG1 4.12Å
310	S	90.3	Very high	88.8	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-63.5	-40.6	177.6	73.2	0	0	0	0	111.8	F306 F307 I308 I312 L313 G314 Y315 A320	F306-S310 VanDerWaalsContact O-CB 3.3Å; F306-S310 WeakPolarHBondContact O-CB 3.06Å; F306-S310 PolarHBondContact O-N 3.36Å; F306-S310 PolarHBondContact O-OG 3.18Å; F307-S310 PolarHBondContact O-N 2.79Å; F307-S310 PolarHBondContact O-OG 2.96Å; I308-S310 VanDerWaalsContact C-N 3.31Å; I308-S310 PolarHBondContact O-N 2.78Å; S310-I312 VanDerWaalsContact C-N 3.33Å; S310-I312 PolarHBondContact O-N 3.41Å; S310-L313 PolarHBondContact O-N 2.7Å; S310-G314 PolarHBondContact O-N 3.28Å; S310-Y315 WeakPolarHBondContact O-CB 3.44Å; S310-Y315 VanDerWaalsContact O-CD2 3.27Å; S310-Y315 WeakPolarHBondContact O-CD2 3.26Å; S310-Y315 PolarHBondContact O-N 3.47Å; S310-Y315 VanDerWaalsContact O-N 3.09Å; S310-A320 WeakPolarHBondContact OG-CB 3.4Å
311	L	91.6	Very high	88.4	Confident	63 Å²	63	59.4 Å²	59.4	33%	0.33	32%	0.317	S	S	.	.	H	α-helix	trans	-63.8	-38	173.4	-64.8	177.6	0	0	0	112.2	F307 I308 L309 L313 G314 A320	F307-L311 HydrophobicContact CD1-CD1 4.21Å; F307-L311 HydrophobicContact CE1-CD1 3.6Å; F307-L311 HydrophobicContact CE1-CG 4.49Å; F307-L311 HydrophobicContact CZ-CD1 3.84Å; F307-L311 HydrophobicContact CZ-CG 4.49Å; F307-L311 PolarHBondContact O-N 2.93Å; F307-L311 VanDerWaalsContact O-N 3.12Å; I308-L311 PolarHBondContact O-N 3.46Å; L309-L311 PolarHBondContact O-N 2.65Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L311-G314 PolarHBondContact O-N 3.4Å; L311-A320 HydrophobicContact CD2-CB 3.75Å; L311-A320 HydrophobicContact CG-CB 4.15Å
312	I	93.8	Very high	87.7	Confident	128 Å²	128	54.9 Å²	54.9	66%	0.656	30%	0.299	S	S	*	.	H	α-helix	trans	-65.3	-37.8	176	-68.6	168.3	0	0	0	111.2	I308 L309 S310 G314	I308-I312 HydrophobicContact CG2-CD1 3.93Å; I308-I312 WeakPolarHBondContact O-CG1 3.37Å; I308-I312 PolarHBondContact O-N 3.35Å; L309-I312 WeakPolarHBondContact O-CB 3.49Å; L309-I312 PolarHBondContact O-N 3.13Å; L309-I312 VanDerWaalsContact O-N 3.17Å; S310-I312 VanDerWaalsContact C-N 3.33Å; S310-I312 PolarHBondContact O-N 3.41Å; I312-G314 PolarHBondContact O-N 3.16Å
313	L	89.6	Confident	87.3	Confident	85 Å²	85	53.7 Å²	53.7	45%	0.445	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-3.2	177.6	-68.5	173.7	0	0	0	113.4	L309 S310 L311 Y315 I794	L309-L313 HydrophobicContact CG-CD1 4.13Å; L309-L313 HydrophobicContact CG-CG 4.49Å; L309-L313 WeakPolarHBondContact O-CG 3.49Å; L309-L313 PolarHBondContact O-N 3.35Å; S310-L313 PolarHBondContact O-N 2.7Å; L311-L313 VanDerWaalsContact C-N 3.33Å; L313-Y315 HydrophobicContact CB-CD2 3.95Å; L313-Y315 HydrophobicContact CB-CE2 3.99Å; L313-Y315 HydrophobicContact CD1-CE2 4.34Å; L313-I794 HydrophobicContact CD1-CG2 4.28Å
314	G	88.5	Confident	87	Confident	66 Å²	66	55.4 Å²	55.4	68%	0.68	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.5	14.2	173.9	0	0	0	0	0	115.3	S310 L311 I312	S310-G314 PolarHBondContact O-N 3.28Å; L311-G314 PolarHBondContact O-N 3.4Å; I312-G314 PolarHBondContact O-N 3.16Å
315	Y	86.3	Confident	86.5	Confident	26 Å²	26	52.5 Å²	52.5	10%	0.102	28%	0.283	C	S	.	.			trans	-69.3	150.7	174.9	-71.5	-84.3	0	0	0	112.1	S310 L313 E319 F323 I794 N797 R887	S310-Y315 WeakPolarHBondContact O-CB 3.44Å; S310-Y315 VanDerWaalsContact O-CD2 3.27Å; S310-Y315 WeakPolarHBondContact O-CD2 3.26Å; S310-Y315 PolarHBondContact O-N 3.47Å; S310-Y315 VanDerWaalsContact O-N 3.09Å; L313-Y315 HydrophobicContact CB-CD2 3.95Å; L313-Y315 HydrophobicContact CB-CE2 3.99Å; L313-Y315 HydrophobicContact CD1-CE2 4.34Å; Y315-E319 WeakPolarHBondContact CD1-OE2 3.31Å; Y315-F323 AromaticContact CD1-CE2 3.63Å; Y315-F323 HydrophobicContact CD1-CE2 3.63Å; Y315-F323 AromaticContact CD1-CZ 3.91Å; Y315-F323 HydrophobicContact CD1-CZ 3.91Å; Y315-F323 HydrophobicContact CD2-CE2 4.28Å; Y315-F323 AromaticContact CE1-CE2 3.81Å; Y315-F323 HydrophobicContact CE1-CE2 3.81Å; Y315-F323 AromaticContact CE1-CZ 3.9Å; Y315-F323 HydrophobicContact CE1-CZ 3.9Å; Y315-F323 HydrophobicContact CE2-CE2 4.43Å; Y315-F323 AromaticContact CG-CE2 3.84Å; Y315-F323 HydrophobicContact CG-CE2 3.84Å; Y315-I794 HydrophobicContact CE2-CG2 4.05Å; Y315-I794 PolarHBondContact OH-O 3.05Å; Y315-N797 PolarHBondContact OH-OD1 3.18Å; Y315-R887 PolarHBondContact OH-NH1 3.13Å
316	G	85.1	Confident	85.8	Confident	35 Å²	35	50.6 Å²	50.6	36%	0.361	27%	0.271	S	S	.	.			trans	-64.7	151.7	175.3	0	0	0	0	0	111.8	L318 E319 A320	G316-L318 PolarHBondContact O-N 3.33Å; G316-E319 PolarHBondContact N-OE2 3.19Å; G316-E319 PolarHBondContact O-N 2.77Å; G316-E319 VanDerWaalsContact O-N 3.12Å; G316-A320 PolarHBondContact O-N 3.23Å
317	W	82.8	Confident	85.5	Confident	182 Å²	182	49.2 Å²	49.2	69%	0.689	27%	0.265	S	S	*	.	H	α-helix	trans	-59.4	-34.4	-178.8	-144.2	74.5	0	0	0	112.5	F307 V321	F307-W317 HydrophobicContact CZ-CZ2 4.46Å; W317-V321 HydrophobicContact CE3-CG2 4.25Å; W317-V321 HydrophobicContact CZ3-CG2 4.36Å; W317-V321 WeakPolarHBondContact O-CG2 3.22Å; W317-V321 PolarHBondContact O-N 3.37Å; W317-V321 VanDerWaalsContact O-N 3.11Å
318	L	78.3	Confident	85.1	Confident	48 Å²	48	48.6 Å²	48.6	25%	0.251	26%	0.263	S	S	.	.	H	α-helix	trans	-66.9	-45.1	176.1	-175.9	61.4	0	0	0	112.1	I117 Q118 G316 V321 I322	I117-L318 HydrophobicContact CB-CD1 3.99Å; I117-L318 HydrophobicContact CD1-CD1 4.27Å; I117-L318 HydrophobicContact CG2-CD1 3.63Å; I117-L318 HydrophobicContact CG2-CD2 4.12Å; I117-L318 HydrophobicContact CG2-CG 4.49Å; Q118-L318 HydrophobicContact CG-CD2 4.07Å; G316-L318 PolarHBondContact O-N 3.33Å; L318-V321 PolarHBondContact O-N 2.8Å; L318-I322 HydrophobicContact CG-CD1 4.24Å; L318-I322 WeakPolarHBondContact O-CG1 3.21Å; L318-I322 PolarHBondContact O-N 2.83Å
319	E	78.8	Confident	84.4	Confident	86 Å²	86	44.6 Å²	44.6	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-64.1	-42.9	178.1	-60.4	174.6	145.4	0	0	111	Y315 G316 V321 I322 F323	Y315-E319 WeakPolarHBondContact CD1-OE2 3.31Å; G316-E319 PolarHBondContact N-OE2 3.19Å; G316-E319 PolarHBondContact O-N 2.77Å; G316-E319 VanDerWaalsContact O-N 3.12Å; E319-V321 VanDerWaalsContact C-N 3.3Å; E319-V321 PolarHBondContact O-N 2.79Å; E319-I322 PolarHBondContact O-N 2.83Å; E319-I322 VanDerWaalsContact O-N 3.11Å; E319-F323 HydrophobicContact CB-CE2 4.2Å; E319-F323 HydrophobicContact CB-CZ 3.98Å; E319-F323 WeakPolarHBondContact O-CD1 3.36Å; E319-F323 WeakPolarHBondContact O-CD2 3.33Å; E319-F323 VanDerWaalsContact O-CG 3.25Å; E319-F323 WeakPolarHBondContact O-CG 3.41Å; E319-F323 PolarHBondContact O-N 2.95Å
320	A	84.8	Confident	84	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-57.3	-43.8	175	0	0	0	0	0	111.4	F307 S310 L311 G316 F323 L324	F307-A320 HydrophobicContact CD2-CB 3.71Å; F307-A320 WeakPolarHBondContact CD2-O 3.42Å; F307-A320 HydrophobicContact CE2-CB 3.53Å; F307-A320 HydrophobicContact CZ-CB 4.4Å; S310-A320 WeakPolarHBondContact OG-CB 3.4Å; L311-A320 HydrophobicContact CD2-CB 3.75Å; L311-A320 HydrophobicContact CG-CB 4.15Å; G316-A320 PolarHBondContact O-N 3.23Å; A320-F323 PolarHBondContact O-N 3.26Å; A320-L324 PolarHBondContact O-N 2.81Å
321	V	80.8	Confident	83.8	Confident	28 Å²	28	41.8 Å²	41.8	17%	0.17	23%	0.228	C	C	.	.	H	α-helix	trans	-64	-40.5	175.5	170.5	0	0	0	0	111.6	F307 W317 L318 E319 L324 I325	F307-V321 HydrophobicContact CE2-CG2 3.91Å; W317-V321 HydrophobicContact CE3-CG2 4.25Å; W317-V321 HydrophobicContact CZ3-CG2 4.36Å; W317-V321 WeakPolarHBondContact O-CG2 3.22Å; W317-V321 PolarHBondContact O-N 3.37Å; W317-V321 VanDerWaalsContact O-N 3.11Å; L318-V321 PolarHBondContact O-N 2.8Å; E319-V321 VanDerWaalsContact C-N 3.3Å; E319-V321 PolarHBondContact O-N 2.79Å; V321-L324 WeakPolarHBondContact O-CB 3.2Å; V321-L324 PolarHBondContact O-N 3.26Å; V321-I325 HydrophobicContact CG1-CD1 4.07Å; V321-I325 VanDerWaalsContact O-CG1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.38Å; V321-I325 PolarHBondContact O-N 2.87Å
322	I	78.4	Confident	83.5	Confident	44 Å²	44	38.9 Å²	38.9	23%	0.226	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-41.6	176.9	-67.3	165.1	0	0	0	110.8	A114 Q118 L318 E319 I325 G326	A114-I322 HydrophobicContact CB-CG1 4.34Å; Q118-I322 VanDerWaalsContact NE2-CD1 3.32Å; L318-I322 HydrophobicContact CG-CD1 4.24Å; L318-I322 WeakPolarHBondContact O-CG1 3.21Å; L318-I322 PolarHBondContact O-N 2.83Å; E319-I322 PolarHBondContact O-N 2.83Å; E319-I322 VanDerWaalsContact O-N 3.11Å; I322-I325 PolarHBondContact O-N 3.36Å; I322-G326 PolarHBondContact O-N 3.33Å
323	F	82.7	Confident	83	Confident	10 Å²	10	32.9 Å²	32.9	4%	0.044	18%	0.183	C	C	.	.	H	α-helix	trans	-64.5	-41.2	175.2	-58.6	-22.5	0	0	0	112.3	Y315 E319 A320 I325 G326 I327 F793 I794 R887	Y315-F323 AromaticContact CD1-CE2 3.63Å; Y315-F323 HydrophobicContact CD1-CE2 3.63Å; Y315-F323 AromaticContact CD1-CZ 3.91Å; Y315-F323 HydrophobicContact CD1-CZ 3.91Å; Y315-F323 HydrophobicContact CD2-CE2 4.28Å; Y315-F323 AromaticContact CE1-CE2 3.81Å; Y315-F323 HydrophobicContact CE1-CE2 3.81Å; Y315-F323 AromaticContact CE1-CZ 3.9Å; Y315-F323 HydrophobicContact CE1-CZ 3.9Å; Y315-F323 HydrophobicContact CE2-CE2 4.43Å; Y315-F323 AromaticContact CG-CE2 3.84Å; Y315-F323 HydrophobicContact CG-CE2 3.84Å; E319-F323 HydrophobicContact CB-CE2 4.2Å; E319-F323 HydrophobicContact CB-CZ 3.98Å; E319-F323 WeakPolarHBondContact O-CD1 3.36Å; E319-F323 WeakPolarHBondContact O-CD2 3.33Å; E319-F323 VanDerWaalsContact O-CG 3.25Å; E319-F323 WeakPolarHBondContact O-CG 3.41Å; E319-F323 PolarHBondContact O-N 2.95Å; A320-F323 PolarHBondContact O-N 3.26Å; F323-I325 VanDerWaalsContact C-N 3.27Å; F323-I325 PolarHBondContact O-N 3.49Å; F323-G326 PolarHBondContact O-N 3.06Å; F323-I327 WeakPolarHBondContact O-CB 3.36Å; F323-I327 VanDerWaalsContact O-CG1 3.28Å; F323-I327 WeakPolarHBondContact O-CG1 3.4Å; F323-I327 PolarHBondContact O-N 3.31Å; F323-F793 HydrophobicContact CD1-CE1 4.22Å; F323-F793 HydrophobicContact CE1-CD1 4.29Å; F323-F793 AromaticContact CE1-CE1 3.59Å; F323-F793 HydrophobicContact CE1-CE1 3.59Å; F323-F793 HydrophobicContact CZ-CE1 4.21Å; F323-I794 HydrophobicContact CB-CD1 3.76Å; F323-I794 HydrophobicContact CB-CG1 4.46Å; F323-I794 HydrophobicContact CD1-CG1 4.44Å; F323-I794 HydrophobicContact CD2-CD1 3.89Å; F323-I794 HydrophobicContact CD2-CG1 3.76Å; F323-I794 HydrophobicContact CE2-CG1 4.14Å; F323-I794 HydrophobicContact CG-CD1 3.81Å; F323-I794 HydrophobicContact CG-CG1 3.96Å; F323-R887 VanDerWaalsContact CZ-NH1 3.27Å
324	L	84.3	Confident	82.7	Confident	36 Å²	36	29.1 Å²	29.1	19%	0.188	16%	0.163	C	C	.	.	H	α-helix	trans	-55.8	-45.6	174.5	172.9	65.4	0	0	0	110.9	G303 F307 A320 V321 I328	G303-L324 WeakPolarHBondContact O-CD1 3.2Å; F307-L324 HydrophobicContact CB-CB 4.38Å; F307-L324 HydrophobicContact CB-CD1 4.4Å; F307-L324 HydrophobicContact CD2-CB 4.1Å; F307-L324 HydrophobicContact CD2-CD2 4.32Å; A320-L324 PolarHBondContact O-N 2.81Å; V321-L324 WeakPolarHBondContact O-CB 3.2Å; V321-L324 PolarHBondContact O-N 3.26Å; L324-I328 HydrophobicContact CD1-CD1 3.79Å; L324-I328 HydrophobicContact CD1-CG1 4.29Å; L324-I328 HydrophobicContact CG-CD1 4.03Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.39Å; L324-I328 PolarHBondContact O-N 2.89Å
325	I	79.3	Confident	82.3	Confident	6 Å²	6	26 Å²	26	3%	0.031	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-50.1	177.5	-64.5	163.2	0	0	0	110.4	L110 A114 V321 I322 F323 I327 I328 V329	L110-I325 HydrophobicContact CB-CD1 3.72Å; L110-I325 HydrophobicContact CB-CG1 3.75Å; L110-I325 HydrophobicContact CD1-CG1 4.23Å; A114-I325 HydrophobicContact CB-CD1 4.05Å; V321-I325 HydrophobicContact CG1-CD1 4.07Å; V321-I325 VanDerWaalsContact O-CG1 3.29Å; V321-I325 WeakPolarHBondContact O-CG1 3.38Å; V321-I325 PolarHBondContact O-N 2.87Å; I322-I325 PolarHBondContact O-N 3.36Å; F323-I325 VanDerWaalsContact C-N 3.27Å; F323-I325 PolarHBondContact O-N 3.49Å; I325-I327 VanDerWaalsContact C-N 3.33Å; I325-I327 PolarHBondContact O-N 2.88Å; I325-I328 PolarHBondContact O-N 2.88Å; I325-V329 HydrophobicContact CG2-CG2 4.23Å; I325-V329 WeakPolarHBondContact O-CG2 3.37Å; I325-V329 PolarHBondContact O-N 3.28Å
326	G	78.8	Confident	82.3	Confident	8 Å²	8	24.8 Å²	24.8	8%	0.082	13%	0.126	C	C	.	.	H	α-helix	trans	-58	-42.7	179.9	0	0	0	0	0	113	I322 F323 A330	I322-G326 PolarHBondContact O-N 3.33Å; F323-G326 PolarHBondContact O-N 3.06Å; G326-A330 VanDerWaalsContact O-CB 3.32Å; G326-A330 WeakPolarHBondContact O-CB 3.42Å; G326-A330 PolarHBondContact O-N 2.79Å
327	I	86.1	Confident	81.9	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-68	-41.6	177.7	-66.2	169.5	0	0	0	111.3	L302 F306 F323 I325 N331 F790 L791 I794	L302-I327 HydrophobicContact CB-CG2 4.04Å; F306-I327 HydrophobicContact CB-CD1 3.41Å; F306-I327 VanDerWaalsContact CB-CD1 3.41Å; F306-I327 HydrophobicContact CD1-CD1 4.44Å; F306-I327 HydrophobicContact CG-CD1 3.98Å; F323-I327 WeakPolarHBondContact O-CB 3.36Å; F323-I327 VanDerWaalsContact O-CG1 3.28Å; F323-I327 WeakPolarHBondContact O-CG1 3.4Å; F323-I327 PolarHBondContact O-N 3.31Å; I325-I327 VanDerWaalsContact C-N 3.33Å; I325-I327 PolarHBondContact O-N 2.88Å; I327-N331 PolarHBondContact O-N 3.34Å; I327-N331 PolarHBondContact O-ND2 3.09Å; I327-F790 HydrophobicContact CG1-CB 4.28Å; I327-L791 HydrophobicContact CD1-CD2 4Å; I327-L791 HydrophobicContact CG1-CD2 4.28Å; I327-I794 HydrophobicContact CD1-CD1 3.96Å
328	I	82.4	Confident	81.9	Confident	22 Å²	22	17.2 Å²	17.2	11%	0.113	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-49.8	177.1	-72.1	171.1	0	0	0	109.7	L103 L324 I325 A330 N331 V332	L103-I328 HydrophobicContact CD1-CG2 4.1Å; L103-I328 HydrophobicContact CG-CG2 4.42Å; L324-I328 HydrophobicContact CD1-CD1 3.79Å; L324-I328 HydrophobicContact CD1-CG1 4.29Å; L324-I328 HydrophobicContact CG-CD1 4.03Å; L324-I328 VanDerWaalsContact O-CG1 3.3Å; L324-I328 WeakPolarHBondContact O-CG1 3.39Å; L324-I328 PolarHBondContact O-N 2.89Å; I325-I328 PolarHBondContact O-N 2.88Å; I328-A330 PolarHBondContact O-N 2.97Å; I328-N331 PolarHBondContact O-N 3.37Å; I328-V332 VanDerWaalsContact O-CG2 3.3Å; I328-V332 WeakPolarHBondContact O-CG2 3.39Å; I328-V332 PolarHBondContact O-N 3.39Å
329	V	78.1	Confident	82.4	Confident	3 Å²	3	15 Å²	15	2%	0.018	8%	0.082	C	C	.	.	H	α-helix	trans	-58.2	-49.6	180	172.6	0	0	0	0	110.7	L136 I325 N331 V332 T804	L136-V329 HydrophobicContact CD1-CG2 4.07Å; I325-V329 HydrophobicContact CG2-CG2 4.23Å; I325-V329 WeakPolarHBondContact O-CG2 3.37Å; I325-V329 PolarHBondContact O-N 3.28Å; V329-N331 PolarHBondContact O-N 2.91Å; V329-V332 PolarHBondContact O-N 2.64Å; V329-T804 HydrophobicContact CG1-CG2 4.19Å
330	A	84.1	Confident	82.9	Confident	1 Å²	1	11.5 Å²	11.5	1%	0.008	7%	0.066	C	C	.	.	H	α-helix	trans	-61.7	-16.5	177.4	0	0	0	0	0	114.5	G326 I328 N783 I787 I807	G326-A330 VanDerWaalsContact O-CB 3.32Å; G326-A330 WeakPolarHBondContact O-CB 3.42Å; G326-A330 PolarHBondContact O-N 2.79Å; I328-A330 PolarHBondContact O-N 2.97Å; A330-N783 PolarHBondContact O-ND2 3.27Å; A330-I787 HydrophobicContact CB-CB 4.49Å; A330-I787 HydrophobicContact CB-CG1 3.75Å; A330-I787 VanDerWaalsContact O-CG1 3.32Å; A330-I787 WeakPolarHBondContact O-CG1 3.37Å; A330-I807 HydrophobicContact CB-CD1 4.01Å
331	N	85.9	Confident	82.8	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-91.6	-14.1	174.6	-86.4	-90	0	0	0	113.6	I295 A299 I327 I328 V329 P333 N783 I787	I295-N331 WeakPolarHBondContact CG2-O 3.21Å; A299-N331 HydrophobicContact CB-CB 3.48Å; A299-N331 VanDerWaalsContact CB-CB 3.48Å; I327-N331 PolarHBondContact O-N 3.34Å; I327-N331 PolarHBondContact O-ND2 3.09Å; I328-N331 PolarHBondContact O-N 3.37Å; V329-N331 PolarHBondContact O-N 2.91Å; N331-P333 WeakPolarHBondContact O-CD 3.29Å; N331-N783 PolarHBondContact O-ND2 3.24Å; N331-I787 HydrophobicContact CB-CD1 4.3Å; N331-I787 WeakPolarHBondContact ND2-CD1 3.44Å; N331-I787 WeakPolarHBondContact OD1-CD1 3.44Å
332	V	84.4	Confident	83.2	Confident	2 Å²	2	12.6 Å²	12.6	1%	0.012	7%	0.073	C	C	.	.	S	Bend	trans	-91.6	116.4	-179.2	-170.3	0	0	0	0	108.6	F100 L103 L104 I328 V329 E334	F100-V332 HydrophobicContact CD1-CG1 3.92Å; L103-V332 HydrophobicContact CD2-CB 4.45Å; L103-V332 HydrophobicContact CD2-CG1 4.37Å; L103-V332 HydrophobicContact CD2-CG2 3.3Å; L103-V332 HydrophobicContact CG-CG2 3.77Å; L104-V332 HydrophobicContact CD2-CB 4.23Å; L104-V332 HydrophobicContact CD2-CG1 3.81Å; L104-V332 HydrophobicContact CG-CG1 4.26Å; I328-V332 VanDerWaalsContact O-CG2 3.3Å; I328-V332 WeakPolarHBondContact O-CG2 3.39Å; I328-V332 PolarHBondContact O-N 3.39Å; V329-V332 PolarHBondContact O-N 2.64Å; V332-E334 PolarHBondContact O-N 2.85Å
333	P	83.8	Confident	83.8	Confident	2 Å²	2	10.5 Å²	10.5	1%	0.013	6%	0.062	C	C	.	.			trans	-77.8	90.5	176.8	32	-35.2	0	0	0	109.9	F100 F291 N331 G335 L336 T779 L780	F100-P333 HydrophobicContact CZ-CG 4.49Å; F291-P333 HydrophobicContact CZ-CG 4.4Å; N331-P333 WeakPolarHBondContact O-CD 3.29Å; P333-G335 VanDerWaalsContact C-N 3.31Å; P333-G335 PolarHBondContact O-N 2.9Å; P333-L336 HydrophobicContact CB-CB 3.9Å; P333-L336 HydrophobicContact CB-CD2 4.25Å; P333-L336 HydrophobicContact CG-CB 4.03Å; P333-L336 HydrophobicContact CG-CD2 3.8Å; P333-L336 WeakPolarHBondContact O-CB 2.95Å; P333-L336 PolarHBondContact O-N 2.68Å; P333-L336 VanDerWaalsContact O-N 3.15Å; P333-T779 HydrophobicContact CB-CG2 4.03Å; P333-L780 HydrophobicContact CB-CD2 4.47Å; P333-L780 HydrophobicContact CG-CD2 4.09Å
334	E	82.6	Confident	84.1	Confident	6 Å²	6	10.4 Å²	10.4	3%	0.028	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-33.6	-168.4	-61.2	95.3	158.5	0	0	113.3	L104 V139 V332 L336 L812	L104-E334 HydrophobicContact CD1-CG 4.34Å; L104-E334 HydrophobicContact CD2-CG 3.66Å; V139-E334 HydrophobicContact CG1-CB 4.43Å; V332-E334 PolarHBondContact O-N 2.85Å; E334-L336 VanDerWaalsContact C-N 3.3Å; E334-L336 PolarHBondContact O-N 2.79Å; E334-L812 HydrophobicContact CB-CD2 3.97Å; E334-L812 HydrophobicContact CB-CG 4.31Å
335	G	81.6	Confident	84.3	Confident	1 Å²	1	9.9 Å²	9.9	1%	0.01	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-14.6	178.1	0	0	0	0	0	114.7	P333 A338 T339 D811	P333-G335 VanDerWaalsContact C-N 3.31Å; P333-G335 PolarHBondContact O-N 2.9Å; G335-A338 PolarHBondContact O-N 3.46Å; G335-T339 WeakPolarHBondContact O-CB 3.47Å; G335-T339 PolarHBondContact O-N 3.2Å; G335-T339 PolarHBondContact O-OG1 3.42Å; G335-D811 WeakPolarHBondContact CA-O 3.31Å
336	L	84.5	Confident	84.8	Confident	1 Å²	1	11.3 Å²	11.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-71.2	-40.4	-167.2	-176.1	60.4	0	0	0	113.2	F291 P333 E334 A338 T339 V340 I776 T779	F291-L336 HydrophobicContact CE1-CD2 3.38Å; F291-L336 HydrophobicContact CE1-CG 4.44Å; F291-L336 HydrophobicContact CE2-CD2 4.37Å; F291-L336 HydrophobicContact CZ-CD2 3.22Å; P333-L336 HydrophobicContact CB-CB 3.9Å; P333-L336 HydrophobicContact CB-CD2 4.25Å; P333-L336 HydrophobicContact CG-CB 4.03Å; P333-L336 HydrophobicContact CG-CD2 3.8Å; P333-L336 WeakPolarHBondContact O-CB 2.95Å; P333-L336 PolarHBondContact O-N 2.68Å; P333-L336 VanDerWaalsContact O-N 3.15Å; E334-L336 VanDerWaalsContact C-N 3.3Å; E334-L336 PolarHBondContact O-N 2.79Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 3.4Å; L336-T339 WeakPolarHBondContact O-CB 3.33Å; L336-T339 PolarHBondContact O-N 2.63Å; L336-V340 HydrophobicContact CD1-CG2 4.25Å; L336-V340 HydrophobicContact CG-CG2 4.39Å; L336-V340 WeakPolarHBondContact O-CG2 3.34Å; L336-V340 PolarHBondContact O-N 3.12Å; L336-I776 HydrophobicContact CD1-CB 4.49Å; L336-I776 HydrophobicContact CD1-CG1 3.92Å; L336-I776 HydrophobicContact CD2-CG1 4.37Å; L336-I776 HydrophobicContact CD2-CG2 4.3Å; L336-T779 HydrophobicContact CB-CG2 4.24Å; L336-T779 HydrophobicContact CD1-CG2 4.37Å
337	L	77.9	Confident	85.4	Confident	41 Å²	41	11 Å²	11	22%	0.215	7%	0.065	C	C	.	.	H	α-helix	trans	-63.1	-43.1	-179.9	-176.5	63.4	0	0	0	111.2	T143 T339 T341	T143-L337 HydrophobicContact CG2-CD2 3.89Å; T143-L337 HydrophobicContact CG2-CG 4.25Å; L337-T339 VanDerWaalsContact C-N 3.34Å; L337-T341 WeakPolarHBondContact O-CB 3.49Å; L337-T341 PolarHBondContact O-N 3.25Å; L337-T341 VanDerWaalsContact O-N 3.13Å; L337-T341 PolarHBondContact O-OG1 3.21Å
338	A	82.8	Confident	85.5	Confident	17 Å²	17	11.7 Å²	11.7	14%	0.14	7%	0.07	C	C	.	.	H	α-helix	trans	-61.5	-44.9	174.1	0	0	0	0	0	110.8	G335 L336 T341 V342 M816	G335-A338 PolarHBondContact O-N 3.46Å; L336-A338 VanDerWaalsContact C-N 3.33Å; L336-A338 PolarHBondContact O-N 3.4Å; A338-T341 WeakPolarHBondContact O-CB 3.31Å; A338-T341 PolarHBondContact O-N 3.22Å; A338-V342 VanDerWaalsContact O-CG2 3.27Å; A338-V342 WeakPolarHBondContact O-CG2 2.93Å; A338-V342 PolarHBondContact O-N 3.2Å; A338-M816 HydrophobicContact CB-CE 4.2Å
339	T	88.5	Confident	85.8	Confident	2 Å²	2	16.7 Å²	16.7	1%	0.012	9%	0.091	C	C	.	.	H	α-helix	trans	-58.3	-51.8	177.5	-64.3	0	0	0	0	112.2	G335 L336 L337 T341 V342 C343 S775 A819 I820	G335-T339 WeakPolarHBondContact O-CB 3.47Å; G335-T339 PolarHBondContact O-N 3.2Å; G335-T339 PolarHBondContact O-OG1 3.42Å; L336-T339 WeakPolarHBondContact O-CB 3.33Å; L336-T339 PolarHBondContact O-N 2.63Å; L337-T339 VanDerWaalsContact C-N 3.34Å; T339-T341 PolarHBondContact O-N 3.31Å; T339-V342 PolarHBondContact O-N 2.95Å; T339-V342 VanDerWaalsContact O-N 3.17Å; T339-C343 WeakPolarHBondContact O-CB 3.49Å; T339-C343 PolarHBondContact O-N 3.34Å; T339-C343 PolarHBondContact O-SG 2.78Å; T339-S775 WeakPolarHBondContact CG2-OG 3.27Å; T339-A819 HydrophobicContact CG2-CB 3.78Å; T339-I820 HydrophobicContact CG2-CG1 3.95Å
340	V	88.2	Confident	86.3	Confident	11 Å²	11	19.7 Å²	19.7	7%	0.067	10%	0.102	C	C	.	.	H	α-helix	trans	-55.8	-43.4	177.4	171.7	0	0	0	0	110.9	I288 L336 C343 L344 L772	I288-V340 HydrophobicContact CD1-CG1 4.2Å; L336-V340 HydrophobicContact CD1-CG2 4.25Å; L336-V340 HydrophobicContact CG-CG2 4.39Å; L336-V340 WeakPolarHBondContact O-CG2 3.34Å; L336-V340 PolarHBondContact O-N 3.12Å; V340-C343 WeakPolarHBondContact O-CB 3.45Å; V340-C343 PolarHBondContact O-N 3.44Å; V340-L344 HydrophobicContact CG1-CD1 4.21Å; V340-L344 WeakPolarHBondContact O-CG 3.43Å; V340-L344 PolarHBondContact O-N 2.56Å; V340-L772 HydrophobicContact CB-CD2 4.34Å; V340-L772 HydrophobicContact CG1-CD2 4.1Å; V340-L772 HydrophobicContact CG2-CD2 4.16Å
341	T	84.7	Confident	86.6	Confident	20 Å²	20	19.7 Å²	19.7	12%	0.123	10%	0.101	C	C	.	.	H	α-helix	trans	-64.7	-42.8	-179.9	-58.2	0	0	0	0	111.9	F146 L337 A338 T339 T345	F146-T341 HydrophobicContact CD1-CG2 4.05Å; F146-T341 HydrophobicContact CE1-CG2 3.89Å; L337-T341 WeakPolarHBondContact O-CB 3.49Å; L337-T341 PolarHBondContact O-N 3.25Å; L337-T341 VanDerWaalsContact O-N 3.13Å; L337-T341 PolarHBondContact O-OG1 3.21Å; A338-T341 WeakPolarHBondContact O-CB 3.31Å; A338-T341 PolarHBondContact O-N 3.22Å; T339-T341 PolarHBondContact O-N 3.31Å; T341-T345 WeakPolarHBondContact O-CB 3.28Å; T341-T345 PolarHBondContact O-N 3.01Å; T341-T345 PolarHBondContact O-OG1 3.27Å
342	V	88.6	Confident	86.7	Confident	31 Å²	31	21.6 Å²	21.6	19%	0.188	12%	0.118	C	C	.	.	H	α-helix	trans	-64	-44.6	173.4	178.7	0	0	0	0	110.8	F146 A338 T339 L344 T345 L346 I820	F146-V342 HydrophobicContact CE1-CG2 3.75Å; F146-V342 HydrophobicContact CZ-CG2 3.71Å; A338-V342 VanDerWaalsContact O-CG2 3.27Å; A338-V342 WeakPolarHBondContact O-CG2 2.93Å; A338-V342 PolarHBondContact O-N 3.2Å; T339-V342 PolarHBondContact O-N 2.95Å; T339-V342 VanDerWaalsContact O-N 3.17Å; V342-L344 PolarHBondContact O-N 3.36Å; V342-T345 WeakPolarHBondContact O-CB 3.3Å; V342-T345 PolarHBondContact O-N 3.41Å; V342-T345 VanDerWaalsContact O-N 3.13Å; V342-L346 HydrophobicContact CG1-CD1 3.98Å; V342-L346 HydrophobicContact CG1-CG 4.17Å; V342-L346 VanDerWaalsContact O-CG 3.29Å; V342-L346 WeakPolarHBondContact O-CG 3.22Å; V342-L346 PolarHBondContact O-N 2.89Å; V342-I820 HydrophobicContact CB-CD1 4.25Å; V342-I820 HydrophobicContact CB-CG1 4.3Å; V342-I820 HydrophobicContact CG1-CD1 4.1Å; V342-I820 HydrophobicContact CG1-CG1 4.24Å; V342-I820 HydrophobicContact CG1-CG2 3.79Å; V342-I820 HydrophobicContact CG2-CD1 4.3Å
343	C	91.3	Very high	86.9	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-57.7	-48.1	179.5	-66.4	0	0	0	0	111.4	T339 V340 T345 L346 T347 I768 L772 A823	T339-C343 WeakPolarHBondContact O-CB 3.49Å; T339-C343 PolarHBondContact O-N 3.34Å; T339-C343 PolarHBondContact O-SG 2.78Å; V340-C343 WeakPolarHBondContact O-CB 3.45Å; V340-C343 PolarHBondContact O-N 3.44Å; C343-T345 VanDerWaalsContact C-N 3.35Å; C343-T345 PolarHBondContact O-N 3.25Å; C343-L346 PolarHBondContact O-N 2.66Å; C343-T347 PolarHBondContact O-N 3.28Å; C343-T347 PolarHBondContact O-OG1 2.87Å; C343-I768 HydrophobicContact CB-CD1 4.16Å; C343-L772 HydrophobicContact CB-CD2 3.83Å; C343-A823 HydrophobicContact CB-CB 3.81Å; C343-A823 VanDerWaalsContact SG-CB 3.6Å
344	L	89.5	Confident	87.2	Confident	8 Å²	8	34.4 Å²	34.4	4%	0.042	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-41	175.3	-68.8	174.2	0	0	0	112	V340 V342 L346 T347 A348 V364 I768 L772	V340-L344 HydrophobicContact CG1-CD1 4.21Å; V340-L344 WeakPolarHBondContact O-CG 3.43Å; V340-L344 PolarHBondContact O-N 2.56Å; V342-L344 PolarHBondContact O-N 3.36Å; L344-L346 VanDerWaalsContact C-N 3.35Å; L344-L346 PolarHBondContact O-N 2.98Å; L344-T347 PolarHBondContact O-N 3.46Å; L344-A348 WeakPolarHBondContact O-CB 3.28Å; L344-A348 PolarHBondContact O-N 3.43Å; L344-V364 HydrophobicContact CD2-CG1 4.46Å; L344-I768 HydrophobicContact CD2-CG1 4.17Å; L344-L772 HydrophobicContact CD2-CD1 4.23Å
345	T	87	Confident	87.4	Confident	26 Å²	26	37.7 Å²	37.7	16%	0.16	19%	0.19	C	C	.	.	H	α-helix	trans	-62.2	-40.6	177.6	-64.9	0	0	0	0	112.6	Q150 T341 V342 C343 T347 A348 K349	Q150-T345 VanDerWaalsContact CD-OG1 3.26Å; Q150-T345 PolarHBondContact NE2-OG1 3.08Å; Q150-T345 PolarHBondContact OE1-OG1 2.76Å; T341-T345 WeakPolarHBondContact O-CB 3.28Å; T341-T345 PolarHBondContact O-N 3.01Å; T341-T345 PolarHBondContact O-OG1 3.27Å; V342-T345 WeakPolarHBondContact O-CB 3.3Å; V342-T345 PolarHBondContact O-N 3.41Å; V342-T345 VanDerWaalsContact O-N 3.13Å; C343-T345 VanDerWaalsContact C-N 3.35Å; C343-T345 PolarHBondContact O-N 3.25Å; T345-T347 VanDerWaalsContact C-N 3.35Å; T345-A348 PolarHBondContact O-N 2.94Å; T345-K349 PolarHBondContact O-N 2.96Å
346	L	90.1	Very high	87.9	Confident	36 Å²	36	37.8 Å²	37.8	19%	0.188	19%	0.191	C	C	.	.	H	α-helix	trans	-64.6	-42	178.1	-70.3	173.7	0	0	0	111.2	V342 C343 L344 K349 R350 I820 Y824	V342-L346 HydrophobicContact CG1-CD1 3.98Å; V342-L346 HydrophobicContact CG1-CG 4.17Å; V342-L346 VanDerWaalsContact O-CG 3.29Å; V342-L346 WeakPolarHBondContact O-CG 3.22Å; V342-L346 PolarHBondContact O-N 2.89Å; C343-L346 PolarHBondContact O-N 2.66Å; L344-L346 VanDerWaalsContact C-N 3.35Å; L344-L346 PolarHBondContact O-N 2.98Å; L346-K349 PolarHBondContact O-N 3.24Å; L346-R350 PolarHBondContact O-N 2.86Å; L346-I820 HydrophobicContact CD1-CG2 3.92Å; L346-Y824 HydrophobicContact CD1-CD2 4.41Å; L346-Y824 HydrophobicContact CD1-CE2 3.48Å; L346-Y824 VanDerWaalsContact CD1-CE2 3.48Å; L346-Y824 VanDerWaalsContact CD2-OH 3.26Å; L346-Y824 WeakPolarHBondContact CD2-OH 3.23Å
347	T	91.3	Very high	88.1	Confident	2 Å²	2	39 Å²	39	1%	0.012	20%	0.198	C	C	.	.	H	α-helix	trans	-67.2	-42.9	175.7	-52.8	0	0	0	0	111.4	C343 L344 T345 K349 R350 M351 V364 E764 I768	C343-T347 PolarHBondContact O-N 3.28Å; C343-T347 PolarHBondContact O-OG1 2.87Å; L344-T347 PolarHBondContact O-N 3.46Å; T345-T347 VanDerWaalsContact C-N 3.35Å; T347-K349 VanDerWaalsContact C-N 3.32Å; T347-K349 PolarHBondContact O-N 3.3Å; T347-R350 WeakPolarHBondContact O-CB 3.37Å; T347-R350 PolarHBondContact O-N 3.38Å; T347-M351 HydrophobicContact CG2-CE 3.82Å; T347-M351 PolarHBondContact O-N 3Å; T347-V364 HydrophobicContact CG2-CG1 3.48Å; T347-V364 VanDerWaalsContact CG2-CG1 3.48Å; T347-E764 HydrophobicContact CG2-CB 4.12Å; T347-I768 HydrophobicContact CG2-CB 4.25Å; T347-I768 WeakPolarHBondContact OG1-CD1 3.02Å
348	A	88.6	Confident	88.5	Confident	13 Å²	13	37.7 Å²	37.7	11%	0.107	19%	0.191	C	C	.	.	H	α-helix	trans	-57.8	-42.7	173.8	0	0	0	0	0	112	L344 T345 R350 M351 A352 L361 V364	L344-A348 WeakPolarHBondContact O-CB 3.28Å; L344-A348 PolarHBondContact O-N 3.43Å; T345-A348 PolarHBondContact O-N 2.94Å; A348-R350 VanDerWaalsContact C-N 3.32Å; A348-R350 PolarHBondContact O-N 3.14Å; A348-M351 PolarHBondContact O-N 3.34Å; A348-A352 WeakPolarHBondContact O-CB 3.21Å; A348-A352 PolarHBondContact O-N 2.88Å; A348-L361 HydrophobicContact CB-CD2 3.72Å; A348-V364 HydrophobicContact CB-CG2 3.83Å
349	K	87.5	Confident	88.3	Confident	127 Å²	127	39 Å²	39	55%	0.552	19%	0.193	S	C	*	.	H	α-helix	trans	-63.5	-36	174	-81.2	-174.1	176.4	177.8	0	112.8	T345 L346 T347 A352 K353	T345-K349 PolarHBondContact O-N 2.96Å; L346-K349 PolarHBondContact O-N 3.24Å; T347-K349 VanDerWaalsContact C-N 3.32Å; T347-K349 PolarHBondContact O-N 3.3Å; K349-A352 PolarHBondContact O-N 3.04Å; K349-K353 WeakPolarHBondContact O-CG 3.1Å; K349-K353 PolarHBondContact O-N 2.89Å
350	R	89.8	Confident	87.8	Confident	66 Å²	66	41.6 Å²	41.6	25%	0.249	21%	0.208	C	C	.	.	H	α-helix	trans	-67.2	-40.7	177.3	-167.7	-171.5	-64.1	166.6	0.1	111.1	L346 T347 A348 K353 E764	L346-R350 PolarHBondContact O-N 2.86Å; T347-R350 WeakPolarHBondContact O-CB 3.37Å; T347-R350 PolarHBondContact O-N 3.38Å; A348-R350 VanDerWaalsContact C-N 3.32Å; A348-R350 PolarHBondContact O-N 3.14Å; R350-K353 PolarHBondContact O-N 3.08Å; R350-E764 WeakPolarHBondContact CD-OE1 3.44Å; R350-E764 VanDerWaalsContact CD-OE2 3.31Å; R350-E764 WeakPolarHBondContact CD-OE2 3.42Å; R350-E764 IonicContact CZ-OE2 2.72Å; R350-E764 IonicContact NE-OE2 2.87Å; R350-E764 IonicContact NH1-OE2 3.45Å; R350-E764 PolarHBondContact NH1-OE2 3Å
351	M	89.6	Confident	87.5	Confident	1 Å²	1	43 Å²	43	1%	0.005	21%	0.214	C	C	.	.	H	α-helix	trans	-66.3	-42.2	173.1	-77.4	-168.2	-102.9	0	0	112.5	T347 A348 K353 K354 N355 C356 V358 V364 E764	T347-M351 HydrophobicContact CG2-CE 3.82Å; T347-M351 PolarHBondContact O-N 3Å; A348-M351 PolarHBondContact O-N 3.34Å; M351-K353 VanDerWaalsContact C-N 3.25Å; M351-K353 PolarHBondContact O-N 3.48Å; M351-K354 CarbonylContact O-C 3.5Å; M351-K354 WeakPolarHBondContact O-CA 3.46Å; M351-K354 WeakPolarHBondContact O-CB 2.96Å; M351-K354 PolarHBondContact O-N 3.37Å; M351-N355 PolarHBondContact O-N 3.37Å; M351-C356 CarbonylContact C-O 3.49Å; M351-C356 HydrophobicContact CB-CB 4.16Å; M351-C356 WeakPolarHBondContact O-CB 3.33Å; M351-C356 PolarHBondContact O-N 2.95Å; M351-C356 VanDerWaalsContact O-N 3.08Å; M351-V358 HydrophobicContact CE-CG2 4.46Å; M351-V358 HydrophobicContact SD-CG2 4.34Å; M351-V364 HydrophobicContact CE-CB 3.67Å; M351-V364 HydrophobicContact CE-CG1 3.21Å; M351-V364 HydrophobicContact CE-CG2 3.64Å; M351-E764 HydrophobicContact CE-CB 4.28Å; M351-E764 HydrophobicContact CG-CB 4.39Å; M351-E764 HydrophobicContact CG-CG 4.32Å; M351-E764 HydrophobicContact SD-CB 4.5Å
352	A	88.3	Confident	87.5	Confident	41 Å²	41	45 Å²	45	34%	0.339	22%	0.222	S	C	.	.	H	α-helix	trans	-60.7	-34.3	177.8	0	0	0	0	0	112.6	A348 K349 K354 N355 C356	A348-A352 WeakPolarHBondContact O-CB 3.21Å; A348-A352 PolarHBondContact O-N 2.88Å; K349-A352 PolarHBondContact O-N 3.04Å; A352-K354 PolarHBondContact O-N 3.46Å; A352-N355 PolarHBondContact O-N 2.92Å; A352-N355 VanDerWaalsContact O-N 3.12Å; A352-C356 VanDerWaalsContact CA-O 3.28Å; A352-C356 WeakPolarHBondContact CA-O 3.32Å; A352-C356 PolarHBondContact N-O 3.18Å; A352-C356 VanDerWaalsContact N-O 3.12Å
353	K	89.8	Confident	87.5	Confident	184 Å²	184	43.6 Å²	43.6	80%	0.8	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-21.2	172.3	-74.2	179.9	180	-176.1	0	113.6	K349 R350 M351	K349-K353 WeakPolarHBondContact O-CG 3.1Å; K349-K353 PolarHBondContact O-N 2.89Å; R350-K353 PolarHBondContact O-N 3.08Å; M351-K353 VanDerWaalsContact C-N 3.25Å; M351-K353 PolarHBondContact O-N 3.48Å
354	K	88.4	Confident	87.4	Confident	89 Å²	89	43.6 Å²	43.6	39%	0.387	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	29.3	175.2	-57.6	178.3	-178	169.7	0	111	M351 A352 C356 T760 E764	M351-K354 CarbonylContact O-C 3.5Å; M351-K354 WeakPolarHBondContact O-CA 3.46Å; M351-K354 WeakPolarHBondContact O-CB 2.96Å; M351-K354 PolarHBondContact O-N 3.37Å; A352-K354 PolarHBondContact O-N 3.46Å; K354-C356 PolarHBondContact O-N 3.07Å; K354-C356 VanDerWaalsContact O-N 3.07Å; K354-T760 HydrophobicContact CD-CG2 3.55Å; K354-E764 IonicContact NZ-OE1 2.79Å; K354-E764 PolarHBondContact NZ-OE1 2.82Å
355	N	88.4	Confident	87.6	Confident	74 Å²	74	43.2 Å²	43.2	40%	0.396	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	17.9	179.8	-57.6	-36	0	0	0	115.6	M351 A352 L751 D752	M351-N355 PolarHBondContact O-N 3.37Å; A352-N355 PolarHBondContact O-N 2.92Å; A352-N355 VanDerWaalsContact O-N 3.12Å; N355-L751 HydrophobicContact CB-CB 4.22Å; N355-L751 WeakPolarHBondContact O-CB 3.46Å; N355-L751 PolarHBondContact O-N 3.34Å; N355-D752 HydrophobicContact CB-CB 4Å; N355-D752 WeakPolarHBondContact CB-OD2 3.46Å; N355-D752 PolarHBondContact ND2-OD2 3.22Å
356	C	90.4	Very high	88	Confident	4 Å²	4	42 Å²	42	3%	0.027	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	97.7	177.5	-173.3	0	0	0	0	109.1	M351 A352 K354 M748 L750	M351-C356 CarbonylContact C-O 3.49Å; M351-C356 HydrophobicContact CB-CB 4.16Å; M351-C356 WeakPolarHBondContact O-CB 3.33Å; M351-C356 PolarHBondContact O-N 2.95Å; M351-C356 VanDerWaalsContact O-N 3.08Å; A352-C356 VanDerWaalsContact CA-O 3.28Å; A352-C356 WeakPolarHBondContact CA-O 3.32Å; A352-C356 PolarHBondContact N-O 3.18Å; A352-C356 VanDerWaalsContact N-O 3.12Å; K354-C356 PolarHBondContact O-N 3.07Å; K354-C356 VanDerWaalsContact O-N 3.07Å; C356-M748 PolarHBondContact SG-SD 3.14Å; C356-L750 HydrophobicContact CB-CD2 4.42Å
357	L	89.1	Confident	88.1	Confident	27 Å²	27	40.2 Å²	40.2	14%	0.141	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	123.9	-175.6	-179.3	68.6	0	0	0	110.5	I157 M158 M748 I749 L751	I157-L357 HydrophobicContact CG2-CD2 4.09Å; M158-L357 HydrophobicContact CE-CD2 3.81Å; L357-M748 CarbonylContact O-C 3.54Å; L357-M748 WeakPolarHBondContact O-CA 3.38Å; L357-M748 WeakPolarHBondContact O-CG 3.25Å; L357-I749 HydrophobicContact CB-CB 4.47Å; L357-I749 PolarHBondContact N-O 2.85Å; L357-I749 PolarHBondContact O-N 3.38Å; L357-L751 HydrophobicContact CB-CD1 4.17Å; L357-L751 HydrophobicContact CB-CD2 4.29Å; L357-L751 HydrophobicContact CB-CG 4.13Å; L357-L751 HydrophobicContact CD2-CD2 4.32Å
358	V	86.1	Confident	88.3	Confident	13 Å²	13	40.3 Å²	40.3	8%	0.079	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	127.5	178	-171.8	0	0	0	0	110.2	S154 M351 N360 A363 V364 M748	S154-V358 PolarHBondContact OG-O 3.38Å; M351-V358 HydrophobicContact CE-CG2 4.46Å; M351-V358 HydrophobicContact SD-CG2 4.34Å; V358-N360 WeakPolarHBondContact CG1-O 3.4Å; V358-A363 HydrophobicContact CG1-CB 4.18Å; V358-V364 HydrophobicContact CB-CG2 4.34Å; V358-V364 HydrophobicContact CG1-CG2 3.99Å; V358-V364 HydrophobicContact CG2-CG2 4.02Å; V358-M748 HydrophobicContact CG2-CG 4.25Å; V358-M748 HydrophobicContact CG2-SD 4.39Å
359	K	80.1	Confident	88.7	Confident	43 Å²	43	39.8 Å²	39.8	19%	0.187	19%	0.192	C	C	.	.	S	Bend	trans	-85.3	-43.3	175.8	-66.9	167.5	60.5	-173.1	0	112	S154 M158 K743 Q744 A746 D747 I749	S154-K359 VanDerWaalsContact CB-O 3.24Å; S154-K359 WeakPolarHBondContact CB-O 3.42Å; S154-K359 VanDerWaalsContact OG-C 3.24Å; S154-K359 WeakPolarHBondContact OG-CA 3.22Å; S154-K359 PolarHBondContact OG-O 2.97Å; M158-K359 HydrophobicContact CG-CD 4.1Å; M158-K359 HydrophobicContact CG-CG 4.16Å; M158-K359 HydrophobicContact SD-CD 3.68Å; M158-K359 HydrophobicContact SD-CG 4.04Å; K359-K743 PolarHBondContact NZ-O 2.86Å; K359-Q744 VanDerWaalsContact NZ-C 3.34Å; K359-Q744 PolarHBondContact NZ-O 2.88Å; K359-A746 VanDerWaalsContact CD-O 3.31Å; K359-A746 WeakPolarHBondContact CD-O 2.98Å; K359-A746 WeakPolarHBondContact CE-O 3.43Å; K359-A746 PolarHBondContact NZ-O 2.86Å; K359-D747 WeakPolarHBondContact CA-O 3.24Å; K359-D747 VanDerWaalsContact CB-O 3.28Å; K359-D747 WeakPolarHBondContact CB-O 3.45Å; K359-D747 PolarHBondContact N-O 3.24Å; K359-I749 HydrophobicContact CD-CD1 4Å; K359-I749 HydrophobicContact CD-CG1 4.31Å
360	N	77.7	Confident	89.2	Confident	58 Å²	58	33.8 Å²	33.8	31%	0.31	17%	0.166	S	C	.	.	S	Bend	trans	-107.6	120.2	175.4	-176.9	-4.4	0	0	0	110.1	V358 E362 A363	V358-N360 WeakPolarHBondContact CG1-O 3.4Å; N360-E362 PolarHBondContact O-N 3.19Å; N360-E362 VanDerWaalsContact O-N 3.12Å; N360-E362 PolarHBondContact OD1-N 3.12Å; N360-A363 HydrophobicContact CB-CB 4.29Å; N360-A363 WeakPolarHBondContact O-CB 3.29Å; N360-A363 PolarHBondContact O-N 2.92Å
361	L	80.8	Confident	89.6	Confident	39 Å²	39	32.1 Å²	32.1	20%	0.204	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.2	-177.8	-73.9	174.9	0	0	0	113.5	Q150 A348 A363 V364	Q150-L361 HydrophobicContact CB-CD1 3.92Å; A348-L361 HydrophobicContact CB-CD2 3.72Å; L361-A363 VanDerWaalsContact C-N 3.25Å; L361-A363 PolarHBondContact O-N 2.87Å; L361-V364 VanDerWaalsContact O-CB 3.29Å; L361-V364 WeakPolarHBondContact O-CB 3.36Å; L361-V364 VanDerWaalsContact O-CG2 3.25Å; L361-V364 WeakPolarHBondContact O-CG2 3.37Å; L361-V364 PolarHBondContact O-N 2.96Å
362	E	85.8	Confident	90	Very high	63 Å²	63	32.5 Å²	32.5	29%	0.294	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.7	177.4	-66.5	-179.4	177.8	0	0	112.5	T282 I284 N360 V364 E365 T366	T282-E362 HydrophobicContact CG2-CB 3.89Å; T282-E362 VanDerWaalsContact CG2-OE2 3.3Å; T282-E362 WeakPolarHBondContact CG2-OE2 3.28Å; T282-E362 PolarHBondContact OG1-OE2 2.78Å; I284-E362 HydrophobicContact CG2-CB 3.52Å; I284-E362 HydrophobicContact CG2-CG 3.85Å; N360-E362 PolarHBondContact O-N 3.19Å; N360-E362 VanDerWaalsContact O-N 3.12Å; N360-E362 PolarHBondContact OD1-N 3.12Å; E362-V364 PolarHBondContact O-N 3.35Å; E362-V364 VanDerWaalsContact O-N 3.14Å; E362-E365 PolarHBondContact O-N 3.04Å; E362-E365 VanDerWaalsContact O-N 3.16Å; E362-T366 PolarHBondContact O-OG1 2.9Å
363	A	87.4	Confident	90.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-66.2	-17.4	-179.1	0	0	0	0	0	113	V358 N360 L361 E365 T366 I730 D747	V358-A363 HydrophobicContact CG1-CB 4.18Å; N360-A363 HydrophobicContact CB-CB 4.29Å; N360-A363 WeakPolarHBondContact O-CB 3.29Å; N360-A363 PolarHBondContact O-N 2.92Å; L361-A363 VanDerWaalsContact C-N 3.25Å; L361-A363 PolarHBondContact O-N 2.87Å; A363-E365 VanDerWaalsContact C-N 3.27Å; A363-E365 PolarHBondContact O-N 2.96Å; A363-T366 PolarHBondContact O-N 2.98Å; A363-I730 HydrophobicContact CB-CD1 3.85Å; A363-I730 HydrophobicContact CB-CG1 4.19Å; A363-I730 VanDerWaalsContact O-CD1 3.3Å; A363-I730 WeakPolarHBondContact O-CD1 3.28Å; A363-D747 HydrophobicContact CB-CB 3.91Å
364	V	88.8	Confident	90.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54	-43.4	171.3	165.7	0	0	0	0	111.7	L344 T347 A348 M351 V358 L361 E362 G765 I768	L344-V364 HydrophobicContact CD2-CG1 4.46Å; T347-V364 HydrophobicContact CG2-CG1 3.48Å; T347-V364 VanDerWaalsContact CG2-CG1 3.48Å; A348-V364 HydrophobicContact CB-CG2 3.83Å; M351-V364 HydrophobicContact CE-CB 3.67Å; M351-V364 HydrophobicContact CE-CG1 3.21Å; M351-V364 HydrophobicContact CE-CG2 3.64Å; V358-V364 HydrophobicContact CB-CG2 4.34Å; V358-V364 HydrophobicContact CG1-CG2 3.99Å; V358-V364 HydrophobicContact CG2-CG2 4.02Å; L361-V364 VanDerWaalsContact O-CB 3.29Å; L361-V364 WeakPolarHBondContact O-CB 3.36Å; L361-V364 VanDerWaalsContact O-CG2 3.25Å; L361-V364 WeakPolarHBondContact O-CG2 3.37Å; L361-V364 PolarHBondContact O-N 2.96Å; E362-V364 PolarHBondContact O-N 3.35Å; E362-V364 VanDerWaalsContact O-N 3.14Å; V364-G765 VanDerWaalsContact O-CA 3.31Å; V364-G765 WeakPolarHBondContact O-CA 3.38Å; V364-I768 HydrophobicContact CG1-CG2 4.12Å
365	E	95	Very high	91.3	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-83.3	-33.3	-178.2	-178.5	-84.4	168.3	0	0	112	I284 E362 A363 L367 G368 S369 I768 F769 R837	I284-E365 HydrophobicContact CB-CB 4.12Å; I284-E365 HydrophobicContact CB-CG 4.2Å; I284-E365 HydrophobicContact CD1-CG 4.28Å; I284-E365 HydrophobicContact CG1-CB 4.47Å; I284-E365 HydrophobicContact CG1-CG 4.5Å; I284-E365 HydrophobicContact CG2-CB 4.46Å; I284-E365 PolarHBondContact N-OE2 3.36Å; E362-E365 PolarHBondContact O-N 3.04Å; E362-E365 VanDerWaalsContact O-N 3.16Å; A363-E365 VanDerWaalsContact C-N 3.27Å; A363-E365 PolarHBondContact O-N 2.96Å; E365-L367 PolarHBondContact O-N 3.01Å; E365-L367 VanDerWaalsContact O-N 3.13Å; E365-G368 WeakPolarHBondContact O-CA 3.47Å; E365-G368 PolarHBondContact O-N 2.87Å; E365-S369 PolarHBondContact O-N 2.85Å; E365-S369 PolarHBondContact OE1-OG 3.45Å; E365-I768 HydrophobicContact CB-CG2 4.29Å; E365-F769 HydrophobicContact CG-CB 4.26Å; E365-F769 HydrophobicContact CG-CD2 4.11Å; E365-F769 VanDerWaalsContact OE1-CD2 3.3Å; E365-F769 WeakPolarHBondContact OE1-CD2 3.37Å; E365-R837 IonicContact OE1-CZ 3.43Å; E365-R837 IonicContact OE1-NE 2.76Å; E365-R837 PolarHBondContact OE1-NE 3.08Å; E365-R837 IonicContact OE1-NH2 3.68Å; E365-R837 PolarHBondContact OE1-NH2 3.35Å
366	T	94.8	Very high	91.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-54.3	-38.4	-175.7	-52.6	0	0	0	0	112.6	P283 E362 A363 G368 S369 T370 I711 D729 I730	P283-T366 HydrophobicContact CG-CG2 3.99Å; E362-T366 PolarHBondContact O-OG1 2.9Å; A363-T366 PolarHBondContact O-N 2.98Å; T366-G368 VanDerWaalsContact C-N 3.31Å; T366-G368 PolarHBondContact O-N 3.06Å; T366-S369 CarbonylContact O-C 3.56Å; T366-S369 PolarHBondContact O-N 3.05Å; T366-S369 VanDerWaalsContact O-N 3.17Å; T366-T370 PolarHBondContact O-N 3.26Å; T366-T370 PolarHBondContact O-OG1 3.07Å; T366-I711 HydrophobicContact CG2-CG2 3.98Å; T366-D729 HydrophobicContact CG2-CB 3.88Å; T366-I730 HydrophobicContact CG2-CB 3.75Å; T366-I730 HydrophobicContact CG2-CG2 3.72Å
367	L	93.1	Very high	91.8	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-60.8	-38.5	174.9	-88.6	161.1	0	0	0	113.1	E365 S369 T370 I730 M748 I758 V762	E365-L367 PolarHBondContact O-N 3.01Å; E365-L367 VanDerWaalsContact O-N 3.13Å; L367-S369 PolarHBondContact O-N 2.68Å; L367-T370 WeakPolarHBondContact CA-OG1 3.44Å; L367-T370 WeakPolarHBondContact O-CB 3.27Å; L367-T370 PolarHBondContact O-N 2.67Å; L367-T370 PolarHBondContact O-OG1 3.4Å; L367-I730 HydrophobicContact CD1-CD1 3.65Å; L367-I730 HydrophobicContact CD2-CD1 4.49Å; L367-I730 HydrophobicContact CD2-CG2 4.5Å; L367-I730 HydrophobicContact CG-CD1 3.58Å; L367-I730 HydrophobicContact CG-CG2 4.34Å; L367-M748 HydrophobicContact CD1-CE 3.42Å; L367-M748 VanDerWaalsContact CD1-CE 3.42Å; L367-M748 HydrophobicContact CD1-SD 3.41Å; L367-M748 WeakPolarHBondContact CD1-SD 3.39Å; L367-I758 HydrophobicContact CD2-CG2 4.29Å; L367-V762 HydrophobicContact CD2-CG2 4.31Å
368	G	94.5	Very high	91.7	Very high	4 Å²	4	13.3 Å²	13.3	4%	0.041	7%	0.072	C	C	.	.	H	α-helix	trans	-66.4	-29.7	177.2	0	0	0	0	0	113.5	E365 T366 V762 R766	E365-G368 WeakPolarHBondContact O-CA 3.47Å; E365-G368 PolarHBondContact O-N 2.87Å; T366-G368 VanDerWaalsContact C-N 3.31Å; T366-G368 PolarHBondContact O-N 3.06Å; G368-V762 WeakPolarHBondContact CA-O 3.3Å; G368-R766 VanDerWaalsContact O-CG 3.26Å; G368-R766 WeakPolarHBondContact O-CG 3.3Å; G368-R766 PolarHBondContact O-NE 3Å
369	S	97	Very high	91.8	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.014	7%	0.068	C	C	.	.	H	α-helix	trans	-91.1	-3.6	178.4	-68.1	0	0	0	0	114	E365 T366 L367 S371 I711 R837	E365-S369 PolarHBondContact O-N 2.85Å; E365-S369 PolarHBondContact OE1-OG 3.45Å; T366-S369 CarbonylContact O-C 3.56Å; T366-S369 PolarHBondContact O-N 3.05Å; T366-S369 VanDerWaalsContact O-N 3.17Å; L367-S369 PolarHBondContact O-N 2.68Å; S369-S371 PolarHBondContact O-N 3.4Å; S369-I711 WeakPolarHBondContact O-CB 3.49Å; S369-R837 PolarHBondContact OG-NE 2.89Å; S369-R837 PolarHBondContact OG-NH2 3.11Å
370	T	97.8	Very high	92.4	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	6%	0.059	C	C	.	.			trans	-66.3	128.7	-178.2	-66.2	0	0	0	0	110.7	T366 L367 T372 I373 I611 A713 P836	T366-T370 PolarHBondContact O-N 3.26Å; T366-T370 PolarHBondContact O-OG1 3.07Å; L367-T370 WeakPolarHBondContact CA-OG1 3.44Å; L367-T370 WeakPolarHBondContact O-CB 3.27Å; L367-T370 PolarHBondContact O-N 2.67Å; L367-T370 PolarHBondContact O-OG1 3.4Å; T370-T372 VanDerWaalsContact CG2-O 3.28Å; T370-T372 WeakPolarHBondContact CG2-O 3.29Å; T370-I373 HydrophobicContact CG2-CG1 4.01Å; T370-I611 HydrophobicContact CG2-CG2 4.45Å; T370-A713 HydrophobicContact CG2-CB 3.6Å; T370-P836 WeakPolarHBondContact O-CB 3.33Å; T370-P836 WeakPolarHBondContact O-CG 3.31Å
371	S	97.8	Very high	93.2	Very high	31 Å²	31	7.9 Å²	7.9	22%	0.217	4%	0.044	C	C	.	.			trans	-107.6	-21.5	175.9	61.3	0	0	0	0	113.1	S369 I611 K612 A710 I711	S369-S371 PolarHBondContact O-N 3.4Å; S371-I611 WeakPolarHBondContact O-CA 3.34Å; S371-K612 PolarHBondContact O-N 3.24Å; S371-A710 WeakPolarHBondContact OG-CA 3.45Å; S371-A710 WeakPolarHBondContact OG-CB 3.36Å; S371-I711 PolarHBondContact N-O 2.94Å; S371-I711 PolarHBondContact OG-N 3.43Å; S371-I711 VanDerWaalsContact OG-N 3.13Å; S371-I711 PolarHBondContact OG-O 2.85Å
372	T	98.3	Very high	93.7	Very high	10 Å²	10	6 Å²	6	6%	0.061	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	132.2	179	-54.2	0	0	0	0	110.4	T370 K612 I614 I711 V712 A713	T370-T372 VanDerWaalsContact CG2-O 3.28Å; T370-T372 WeakPolarHBondContact CG2-O 3.29Å; T372-K612 CarbonylContact C-O 3.34Å; T372-K612 VanDerWaalsContact CA-O 3.24Å; T372-K612 WeakPolarHBondContact CA-O 3.3Å; T372-K612 HydrophobicContact CG2-CB 4.43Å; T372-I614 HydrophobicContact CG2-CD1 3.84Å; T372-I614 HydrophobicContact CG2-CG1 4.25Å; T372-I711 PolarHBondContact N-O 3.32Å; T372-I711 VanDerWaalsContact N-O 3.14Å; T372-V712 WeakPolarHBondContact O-CA 3.44Å; T372-A713 PolarHBondContact O-N 2.8Å
373	I	98.4	Very high	94	Very high	2 Å²	2	3.9 Å²	3.9	1%	0.01	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.3	169.3	-66.5	165.1	0	0	0	108.2	T370 C606 I611 K612 V613 I614 A713 T715 I758	T370-I373 HydrophobicContact CG2-CG1 4.01Å; I373-C606 HydrophobicContact CD1-CB 4.23Å; I373-I611 HydrophobicContact CB-CG2 4.41Å; I373-I611 HydrophobicContact CD1-CG2 3.78Å; I373-I611 HydrophobicContact CG1-CG2 3.75Å; I373-K612 PolarHBondContact N-O 3.48Å; I373-V613 WeakPolarHBondContact O-CA 3.44Å; I373-I614 PolarHBondContact O-N 3.38Å; I373-A713 CarbonylContact C-O 3.49Å; I373-A713 WeakPolarHBondContact CA-O 3.34Å; I373-A713 HydrophobicContact CG1-CB 4.2Å; I373-T715 HydrophobicContact CG2-CG2 4.48Å; I373-I758 HydrophobicContact CD1-CG2 4.04Å
374	C	98.2	Very high	93.9	Very high	3 Å²	3	6.5 Å²	6.5	2%	0.02	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	111.7	167.3	-67.4	0	0	0	0	108.2	I614 V616 V702 A713 V714 T715	C374-I614 CarbonylContact C-O 3.49Å; C374-I614 WeakPolarHBondContact CA-O 3.35Å; C374-V616 HydrophobicContact CB-CG2 4.13Å; C374-V702 HydrophobicContact CB-CG2 4.47Å; C374-A713 PolarHBondContact N-O 2.89Å; C374-V714 HydrophobicContact CB-CG2 4.09Å; C374-V714 VanDerWaalsContact O-CA 3.26Å; C374-V714 WeakPolarHBondContact O-CA 3.43Å; C374-T715 PolarHBondContact O-N 2.9Å
375	S	97.6	Very high	93.9	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.007	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	136.2	-177.4	-170.5	0	0	0	0	111.8	T380 L381 I614 M615 V616 T715	S375-T380 WeakPolarHBondContact OG-CG2 3.32Å; S375-L381 WeakPolarHBondContact OG-CG 3.49Å; S375-I614 PolarHBondContact N-O 3.46Å; S375-M615 WeakPolarHBondContact O-CA 3.46Å; S375-V616 PolarHBondContact O-N 3.07Å; S375-T715 VanDerWaalsContact CA-OG1 3.27Å; S375-T715 WeakPolarHBondContact CA-OG1 3.39Å; S375-T715 WeakPolarHBondContact CB-OG1 3.34Å; S375-T715 PolarHBondContact OG-OG1 3.18Å
376	D	95.6	Very high	93.6	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.011	6%	0.057	C	C	.	.			trans	-67.8	157.9	160	-169.7	56.7	0	0	0	110.9	T378 T380 L381 K698 T715	D376-T378 PolarHBondContact OD2-N 3.22Å; D376-T380 WeakPolarHBondContact O-CB 3.25Å; D376-L381 WeakPolarHBondContact O-CD1 3.31Å; D376-L381 VanDerWaalsContact O-CG 3.29Å; D376-L381 WeakPolarHBondContact O-CG 3.34Å; D376-K698 IonicContact OD1-NZ 3.52Å; D376-K698 PolarHBondContact OD1-NZ 3.41Å; D376-T715 PolarHBondContact N-O 2.87Å
377	K	93.4	Very high	93.6	Very high	4 Å²	4	11.3 Å²	11.3	2%	0.017	6%	0.06	C	C	.	.	I	π-helix	trans	-90.1	-55.7	179	-177.9	-137.9	64.6	98.8	0	111.7	L381 T382 D593 M615 T617 D619 I627	K377-L381 PolarHBondContact O-N 3.17Å; K377-T382 HydrophobicContact CG-CG2 4.07Å; K377-T382 PolarHBondContact O-N 2.87Å; K377-T382 PolarHBondContact O-OG1 2.72Å; K377-D593 IonicContact NZ-OD2 3.82Å; K377-D593 PolarHBondContact NZ-OD2 3.44Å; K377-M615 HydrophobicContact CB-CE 4.23Å; K377-M615 HydrophobicContact CB-CG 4.4Å; K377-M615 HydrophobicContact CB-SD 4.1Å; K377-M615 HydrophobicContact CG-CE 4.1Å; K377-M615 HydrophobicContact CG-SD 4.26Å; K377-T617 HydrophobicContact CB-CG2 4.25Å; K377-D619 HydrophobicContact CD-CB 4.2Å; K377-D619 WeakPolarHBondContact CD-OD2 3.41Å; K377-D619 WeakPolarHBondContact CE-OD2 3.39Å; K377-D619 IonicContact NZ-OD2 3.26Å; K377-D619 PolarHBondContact NZ-OD2 3.45Å; K377-I627 HydrophobicContact CD-CB 4.47Å; K377-I627 HydrophobicContact CD-CG1 4.27Å; K377-I627 HydrophobicContact CD-CG2 4.49Å; K377-I627 HydrophobicContact CG-CB 4.34Å; K377-I627 HydrophobicContact CG-CG2 3.88Å
378	T	88.3	Confident	93.6	Very high	4 Å²	4	11.4 Å²	11.4	3%	0.025	6%	0.061	C	C	.	.	I	π-helix	trans	-76.3	132.1	-169.9	-57.9	0	0	0	0	109.4	G220 D376 T380 T382 N384	G220-T378 WeakPolarHBondContact O-CB 3.37Å; G220-T378 VanDerWaalsContact O-CG2 3.22Å; G220-T378 WeakPolarHBondContact O-CG2 3.34Å; G220-T378 PolarHBondContact O-OG1 3.19Å; D376-T378 PolarHBondContact OD2-N 3.22Å; T378-T380 PolarHBondContact O-N 3.07Å; T378-T382 VanDerWaalsContact CA-OG1 3.25Å; T378-T382 WeakPolarHBondContact CA-OG1 3.41Å; T378-N384 HydrophobicContact CG2-CB 4.06Å
379	G	87.1	Confident	93.6	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.061	C	C	.	.	I	π-helix	trans	67.8	-16	177.7	0	0	0	0	0	116.5	T382 R596 D717	G379-T382 CarbonylContact C-O 3.53Å; G379-T382 VanDerWaalsContact CA-O 3.3Å; G379-T382 WeakPolarHBondContact CA-O 3.38Å; G379-T382 PolarHBondContact N-O 3.46Å; G379-T382 PolarHBondContact N-OG1 2.76Å; G379-R596 PolarHBondContact O-NE 2.74Å; G379-R596 PolarHBondContact O-NH2 3.13Å; G379-D717 WeakPolarHBondContact CA-OD2 3.38Å
380	T	92.4	Very high	93.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-96.3	-71.2	173.3	-58.1	0	0	0	0	110.9	S375 D376 T378 R596 G716 D717 F755	S375-T380 WeakPolarHBondContact OG-CG2 3.32Å; D376-T380 WeakPolarHBondContact O-CB 3.25Å; T378-T380 PolarHBondContact O-N 3.07Å; T380-R596 WeakPolarHBondContact O-CD 3.21Å; T380-R596 PolarHBondContact O-NE 3.06Å; T380-G716 VanDerWaalsContact OG1-CA 3.3Å; T380-G716 WeakPolarHBondContact OG1-CA 3.28Å; T380-D717 PolarHBondContact OG1-N 3.47Å; T380-F755 HydrophobicContact CG2-CD2 4.34Å; T380-F755 HydrophobicContact CG2-CE2 4.1Å
381	L	94.5	Very high	93.4	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	I	π-helix	trans	-78	-35.5	176.1	-65.3	171.5	0	0	0	111.8	S375 D376 K377 P595 R596 V599 V603 M615 I633 F755	S375-L381 WeakPolarHBondContact OG-CG 3.49Å; D376-L381 WeakPolarHBondContact O-CD1 3.31Å; D376-L381 VanDerWaalsContact O-CG 3.29Å; D376-L381 WeakPolarHBondContact O-CG 3.34Å; K377-L381 PolarHBondContact O-N 3.17Å; L381-P595 WeakPolarHBondContact O-CA 3.26Å; L381-R596 PolarHBondContact O-N 2.97Å; L381-V599 HydrophobicContact CB-CG1 4.19Å; L381-V599 HydrophobicContact CD2-CG1 3.6Å; L381-V599 HydrophobicContact CG-CG1 4.49Å; L381-V599 WeakPolarHBondContact O-CG2 3.09Å; L381-V603 HydrophobicContact CD2-CG2 4.37Å; L381-M615 HydrophobicContact CD1-CE 3.61Å; L381-I633 HydrophobicContact CD1-CD1 3.92Å; L381-F755 HydrophobicContact CD2-CD2 4.27Å; L381-F755 HydrophobicContact CD2-CE1 4.31Å; L381-F755 HydrophobicContact CD2-CE2 3.75Å; L381-F755 HydrophobicContact CD2-CZ 3.78Å
382	T	92.9	Very high	93.3	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.058	C	C	.	.	B	Isolated β-bridge	trans	-102.4	166.5	-179.7	57.6	0	0	0	0	111.2	K377 T378 G379 N384 D593 P594 R596 I627	K377-T382 HydrophobicContact CG-CG2 4.07Å; K377-T382 PolarHBondContact O-N 2.87Å; K377-T382 PolarHBondContact O-OG1 2.72Å; T378-T382 VanDerWaalsContact CA-OG1 3.25Å; T378-T382 WeakPolarHBondContact CA-OG1 3.41Å; G379-T382 CarbonylContact C-O 3.53Å; G379-T382 VanDerWaalsContact CA-O 3.3Å; G379-T382 WeakPolarHBondContact CA-O 3.38Å; G379-T382 PolarHBondContact N-O 3.46Å; G379-T382 PolarHBondContact N-OG1 2.76Å; T382-N384 PolarHBondContact O-N 3.41Å; T382-D593 WeakPolarHBondContact CB-OD2 3.42Å; T382-D593 WeakPolarHBondContact CG2-O 3.43Å; T382-D593 PolarHBondContact OG1-OD2 3.41Å; T382-P594 CarbonylContact C-O 3.56Å; T382-P594 VanDerWaalsContact CA-O 3.24Å; T382-P594 WeakPolarHBondContact CA-O 3.4Å; T382-P594 WeakPolarHBondContact CB-O 3.31Å; T382-R596 PolarHBondContact O-NE 2.58Å; T382-I627 HydrophobicContact CG2-CD1 4.15Å; T382-I627 HydrophobicContact CG2-CG1 4.39Å; T382-I627 HydrophobicContact CG2-CG2 3.85Å
383	Q	90.4	Very high	93.2	Very high	18 Å²	18	11.2 Å²	11.2	8%	0.084	6%	0.055	C	C	.	.			trans	-78.6	-6.1	-174.4	-64.8	175.7	39.9	0	0	113.1	R385 T402 D593 P594 P595 R596	Q383-R385 PolarHBondContact O-N 3.34Å; Q383-T402 PolarHBondContact NE2-O 2.92Å; Q383-D593 PolarHBondContact N-OD1 2.87Å; Q383-P594 PolarHBondContact N-O 3.02Å; Q383-P595 PolarHBondContact NE2-O 3.13Å; Q383-R596 HydrophobicContact CG-CB 4.48Å; Q383-R596 HydrophobicContact CG-CG 3.86Å
384	N	86.6	Confident	93	Very high	55 Å²	55	11.8 Å²	11.8	29%	0.294	6%	0.058	S	C	.	.	S	Bend	trans	53.9	42.5	-170.1	-167.4	1.9	0	0	0	111.6	S222 T378 T382 D593	S222-N384 WeakPolarHBondContact CB-OD1 3.24Å; S222-N384 PolarHBondContact OG-OD1 2.98Å; T378-N384 HydrophobicContact CG2-CB 4.06Å; T382-N384 PolarHBondContact O-N 3.41Å; N384-D593 WeakPolarHBondContact CA-OD1 3.4Å; N384-D593 PolarHBondContact N-OD1 3.01Å
385	R	87.5	Confident	92.7	Very high	44 Å²	44	15.3 Å²	15.3	17%	0.166	8%	0.077	C	C	.	.	S	Bend	trans	-152.2	115.8	-178.4	-171.4	-172	68.3	-129.8	-12	111.2	Q383 T387 L443 D593 P594	Q383-R385 PolarHBondContact O-N 3.34Å; R385-T387 PolarHBondContact NE-OG1 3.31Å; R385-T387 PolarHBondContact O-N 2.92Å; R385-T387 PolarHBondContact O-OG1 2.89Å; R385-L443 WeakPolarHBondContact CD-O 3.37Å; R385-L443 PolarHBondContact NH1-O 2.79Å; R385-D593 PolarHBondContact N-OD1 3.01Å; R385-P594 VanDerWaalsContact O-CD 3.22Å; R385-P594 WeakPolarHBondContact O-CD 3.48Å
386	M	90.1	Very high	92.5	Very high	46 Å²	46	20.8 Å²	20.8	23%	0.227	10%	0.102	C	C	.	.			trans	-55.3	125.2	171.6	-162.2	60.2	61.1	0	0	110.6	A451 A455 M591 I592	M386-A451 HydrophobicContact CB-CB 4.08Å; M386-A455 HydrophobicContact CB-CB 4.21Å; M386-A455 HydrophobicContact CG-CB 4.02Å; M386-A455 VanDerWaalsContact O-CB 3.24Å; M386-A455 WeakPolarHBondContact O-CB 3.37Å; M386-M591 HydrophobicContact CG-CB 4.11Å; M386-M591 HydrophobicContact CG-CG 3.86Å; M386-M591 HydrophobicContact CG-SD 3.85Å; M386-M591 HydrophobicContact SD-CB 4.03Å; M386-M591 HydrophobicContact SD-CG 3.79Å; M386-I592 VanDerWaalsContact SD-CA 3.57Å
387	T	93.2	Very high	92.5	Very high	11 Å²	11	23.6 Å²	23.6	7%	0.067	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.6	-174.8	-54.5	0	0	0	0	108.5	R385 A389 M591 I592	R385-T387 PolarHBondContact NE-OG1 3.31Å; R385-T387 PolarHBondContact O-N 2.92Å; R385-T387 PolarHBondContact O-OG1 2.89Å; T387-A389 PolarHBondContact O-N 2.72Å; T387-M591 VanDerWaalsContact O-CA 3.24Å; T387-M591 WeakPolarHBondContact O-CA 3.3Å; T387-M591 VanDerWaalsContact O-CB 3.32Å; T387-M591 WeakPolarHBondContact O-CB 3.34Å; T387-I592 PolarHBondContact N-O 3.21Å; T387-I592 PolarHBondContact O-N 3.2Å; T387-I592 VanDerWaalsContact O-O 3.1Å
388	V	95.1	Very high	92.5	Very high	3 Å²	3	24.6 Å²	24.6	2%	0.018	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	126.7	176.4	178.5	0	0	0	0	108.7	M391 A455 L456 C459	V388-M391 HydrophobicContact CG1-CG 4.1Å; V388-M391 HydrophobicContact CG1-SD 4.32Å; V388-A455 HydrophobicContact CG2-CB 4.47Å; V388-L456 HydrophobicContact CG2-CD2 4.06Å; V388-C459 HydrophobicContact CB-CB 4.03Å; V388-C459 HydrophobicContact CG2-CB 3.68Å
389	A	93.4	Very high	92.7	Very high	5 Å²	5	30.1 Å²	30.1	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	-49.4	-175.7	0	0	0	0	0	111.4	T387 A400 T402 E550 A590 I592	T387-A389 PolarHBondContact O-N 2.72Å; A389-A400 PolarHBondContact O-N 3.33Å; A389-T402 HydrophobicContact CB-CG2 3.95Å; A389-E550 VanDerWaalsContact CB-OE1 3.3Å; A389-E550 WeakPolarHBondContact CB-OE1 3.43Å; A389-A590 PolarHBondContact N-O 3.25Å; A389-I592 HydrophobicContact CB-CG2 3.94Å
390	H	95.4	Very high	92.9	Very high	29 Å²	29	30.5 Å²	30.5	13%	0.134	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	156.4	178.4	-62.1	93	0	0	0	112.3	I397 H398 L545 E550 A590	H390-I397 HydrophobicContact CB-CG2 4.14Å; H390-H398 CarbonylContact C-O 3.48Å; H390-H398 VanDerWaalsContact CA-O 3.25Å; H390-H398 WeakPolarHBondContact CA-O 3.21Å; H390-L545 HydrophobicContact CB-CD2 3.46Å; H390-L545 VanDerWaalsContact CB-CD2 3.46Å; H390-E550 IonicContact CE1-OE1 2.68Å; H390-E550 PolarHBondContact CE1-OE1 3.45Å; H390-E550 IonicContact CE1-OE2 2.67Å; H390-E550 IonicContact CG-OE2 3.57Å; H390-E550 IonicContact ND1-OE1 3.78Å; H390-E550 PolarHBondContact ND1-OE1 3.11Å; H390-E550 IonicContact ND1-OE2 3.62Å; H390-E550 PolarHBondContact ND1-OE2 2.78Å; H390-A590 HydrophobicContact CB-CB 4.32Å; H390-A590 PolarHBondContact N-O 3.47Å; H390-A590 PolarHBondContact O-N 3.32Å
391	M	95.6	Very high	92.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	140.7	173.6	-63	149.2	-64.2	0	0	108.8	V388 F393 I397 H398 A400 F411 W418 L588 M589	V388-M391 HydrophobicContact CG1-CG 4.1Å; V388-M391 HydrophobicContact CG1-SD 4.32Å; M391-F393 HydrophobicContact CB-CD1 4.16Å; M391-F393 HydrophobicContact CB-CE1 4.2Å; M391-I397 CarbonylContact O-C 3.54Å; M391-I397 WeakPolarHBondContact O-CA 3.44Å; M391-H398 HydrophobicContact CE-CB 4.25Å; M391-H398 PolarHBondContact N-O 3.15Å; M391-H398 PolarHBondContact O-N 3.44Å; M391-A400 HydrophobicContact CE-CB 3.79Å; M391-F411 HydrophobicContact CE-CD1 3.63Å; M391-F411 HydrophobicContact CE-CD2 3.91Å; M391-F411 HydrophobicContact CE-CE1 3.54Å; M391-F411 HydrophobicContact CE-CE2 3.81Å; M391-F411 HydrophobicContact CE-CG 3.83Å; M391-F411 HydrophobicContact CE-CZ 3.63Å; M391-F411 HydrophobicContact SD-CE1 4.22Å; M391-F411 HydrophobicContact SD-CE2 4.04Å; M391-F411 HydrophobicContact SD-CZ 3.8Å; M391-W418 HydrophobicContact CG-CZ3 4.38Å; M391-W418 HydrophobicContact SD-CE3 4.29Å; M391-W418 HydrophobicContact SD-CH2 3.7Å; M391-W418 HydrophobicContact SD-CZ3 3.35Å; M391-W418 WeakPolarHBondContact SD-CZ3 3.48Å; M391-L588 CarbonylContact C-O 3.6Å; M391-L588 VanDerWaalsContact CA-O 3.29Å; M391-L588 WeakPolarHBondContact CA-O 3.41Å; M391-M589 HydrophobicContact CG-CB 4.4Å; M391-M589 HydrophobicContact CG-CG 3.98Å; M391-M589 HydrophobicContact CG-SD 4.42Å
392	W	96.3	Very high	92.7	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.027	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	115	173.5	-176.3	81.3	0	0	0	109.4	N395 Q396 I521 F538 A541 F585 G587 L588	W392-N395 HydrophobicContact CZ2-CB 4.48Å; W392-N395 WeakPolarHBondContact CZ2-OD1 3.45Å; W392-Q396 WeakPolarHBondContact CA-O 3.43Å; W392-I521 HydrophobicContact CH2-CD1 4.09Å; W392-I521 HydrophobicContact CZ3-CD1 4.14Å; W392-F538 HydrophobicContact CE3-CD2 4.36Å; W392-F538 HydrophobicContact CH2-CB 3.92Å; W392-F538 HydrophobicContact CH2-CD2 4.42Å; W392-F538 HydrophobicContact CZ2-CB 4.49Å; W392-F538 HydrophobicContact CZ3-CB 4.24Å; W392-F538 AromaticContact CZ3-CD2 3.88Å; W392-F538 HydrophobicContact CZ3-CD2 3.88Å; W392-A541 HydrophobicContact CD2-CB 4.24Å; W392-A541 HydrophobicContact CG-CB 3.9Å; W392-F585 HydrophobicContact CE3-CE1 4.04Å; W392-F585 HydrophobicContact CZ3-CD1 4.33Å; W392-F585 AromaticContact CZ3-CE1 3.65Å; W392-F585 HydrophobicContact CZ3-CE1 3.65Å; W392-F585 HydrophobicContact CZ3-CZ 4.5Å; W392-G587 CarbonylContact O-C 3.41Å; W392-G587 WeakPolarHBondContact O-CA 3.33Å; W392-L588 HydrophobicContact CB-CB 3.92Å; W392-L588 HydrophobicContact CB-CD1 4.21Å; W392-L588 HydrophobicContact CB-CG 4.32Å; W392-L588 HydrophobicContact CE3-CD1 4.32Å; W392-L588 HydrophobicContact CE3-CG 4.21Å; W392-L588 PolarHBondContact N-O 3.42Å; W392-L588 PolarHBondContact O-N 3.46Å
393	F	94.9	Very high	92.4	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	162	172.2	61.4	-91.9	0	0	0	108.8	M391 N395 Q396 H398 T417 W418 L421	M391-F393 HydrophobicContact CB-CD1 4.16Å; M391-F393 HydrophobicContact CB-CE1 4.2Å; F393-N395 PolarHBondContact O-N 3.43Å; F393-Q396 PolarHBondContact N-O 3.3Å; F393-Q396 PolarHBondContact O-N 3.47Å; F393-Q396 VanDerWaalsContact O-O 3.12Å; F393-H398 AromaticContact CD1-CD2 3.62Å; F393-H398 AromaticContact CD2-NE2 3.85Å; F393-H398 HydrophobicContact CE1-CB 4.18Å; F393-H398 AromaticContact CE1-CD2 3.22Å; F393-H398 WeakPolarHBondContact CE1-CD2 3.49Å; F393-H398 AromaticContact CE1-CG 3.74Å; F393-H398 AromaticContact CE1-NE2 3.81Å; F393-H398 AromaticContact CE2-CD2 3.78Å; F393-H398 AromaticContact CE2-NE2 3.41Å; F393-H398 WeakPolarHBondContact CE2-NE2 3.04Å; F393-H398 AromaticContact CZ-CD2 3.31Å; F393-H398 WeakPolarHBondContact CZ-CD2 3.22Å; F393-H398 AromaticContact CZ-CE1 3.9Å; F393-H398 AromaticContact CZ-CG 3.77Å; F393-H398 AromaticContact CZ-NE2 3.4Å; F393-H398 WeakPolarHBondContact CZ-NE2 3.45Å; F393-T417 HydrophobicContact CB-CG2 3.9Å; F393-T417 HydrophobicContact CD2-CG2 4.38Å; F393-W418 HydrophobicContact CD1-CE3 4.48Å; F393-W418 AromaticContact CE1-CE3 3.95Å; F393-W418 HydrophobicContact CE1-CE3 3.95Å; F393-W418 HydrophobicContact CE2-CB 4.07Å; F393-W418 HydrophobicContact CZ-CB 3.99Å; F393-W418 HydrophobicContact CZ-CE3 4.43Å; F393-L421 HydrophobicContact CB-CD2 4.32Å; F393-L421 HydrophobicContact CD1-CD2 3.92Å; F393-L421 HydrophobicContact CG-CD2 4.45Å
394	D	94.3	Very high	92.1	Very high	14 Å²	14	36.3 Å²	36.3	8%	0.075	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	31.6	-176.2	-67	-15.7	0	0	0	113.4	Q396 S415 T417 H524	D394-Q396 PolarHBondContact O-N 3.19Å; D394-S415 WeakPolarHBondContact OD2-CB 3.49Å; D394-S415 PolarHBondContact OD2-OG 3.31Å; D394-T417 WeakPolarHBondContact OD1-CB 3.36Å; D394-T417 WeakPolarHBondContact OD1-CG2 3.42Å; D394-T417 PolarHBondContact OD1-OG1 3.22Å; D394-H524 PolarHBondContact OD1-N 2.88Å; D394-H524 IonicContact OD1-ND1 3.54Å; D394-H524 IonicContact OD2-CE1 3.91Å; D394-H524 IonicContact OD2-CG 2.91Å; D394-H524 IonicContact OD2-ND1 2.67Å; D394-H524 PolarHBondContact OD2-ND1 3.22Å
395	N	92.8	Very high	92	Very high	77 Å²	77	38.6 Å²	38.6	41%	0.412	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	30.7	-175.1	-165.4	36.2	0	0	0	114.6	W392 F393 M534 A537	W392-N395 HydrophobicContact CZ2-CB 4.48Å; W392-N395 WeakPolarHBondContact CZ2-OD1 3.45Å; F393-N395 PolarHBondContact O-N 3.43Å; N395-M534 HydrophobicContact CB-CE 4.21Å; N395-A537 WeakPolarHBondContact OD1-CB 3.4Å
396	Q	93.6	Very high	91.8	Very high	117 Å²	117	40 Å²	40	55%	0.547	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	146.8	177.5	-67.2	-176	14.1	0	0	111.1	W392 F393 D394 H398	W392-Q396 WeakPolarHBondContact CA-O 3.43Å; F393-Q396 PolarHBondContact N-O 3.3Å; F393-Q396 PolarHBondContact O-N 3.47Å; F393-Q396 VanDerWaalsContact O-O 3.12Å; D394-Q396 PolarHBondContact O-N 3.19Å; Q396-H398 PolarHBondContact O-CD2 2.91Å
397	I	94.6	Very high	91.3	Very high	60 Å²	60	41.6 Å²	41.6	31%	0.308	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	127.4	170.9	-61.6	177.5	0	0	0	108.4	H390 M391 A541 E544 L545	H390-I397 HydrophobicContact CB-CG2 4.14Å; M391-I397 CarbonylContact O-C 3.54Å; M391-I397 WeakPolarHBondContact O-CA 3.44Å; I397-A541 HydrophobicContact CD1-CB 4.5Å; I397-E544 HydrophobicContact CD1-CG 4.32Å; I397-E544 WeakPolarHBondContact CD1-OE2 3.24Å; I397-L545 HydrophobicContact CD1-CD2 4.42Å; I397-L545 HydrophobicContact CG2-CD2 4.26Å
398	H	94.1	Very high	90.4	Very high	26 Å²	26	43 Å²	43	12%	0.12	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.3	177.8	-62.4	-82	0	0	0	109.8	H390 M391 F393 Q396 F411	H390-H398 CarbonylContact C-O 3.48Å; H390-H398 VanDerWaalsContact CA-O 3.25Å; H390-H398 WeakPolarHBondContact CA-O 3.21Å; M391-H398 HydrophobicContact CE-CB 4.25Å; M391-H398 PolarHBondContact N-O 3.15Å; M391-H398 PolarHBondContact O-N 3.44Å; F393-H398 AromaticContact CD1-CD2 3.62Å; F393-H398 AromaticContact CD2-NE2 3.85Å; F393-H398 HydrophobicContact CE1-CB 4.18Å; F393-H398 AromaticContact CE1-CD2 3.22Å; F393-H398 WeakPolarHBondContact CE1-CD2 3.49Å; F393-H398 AromaticContact CE1-CG 3.74Å; F393-H398 AromaticContact CE1-NE2 3.81Å; F393-H398 AromaticContact CE2-CD2 3.78Å; F393-H398 AromaticContact CE2-NE2 3.41Å; F393-H398 WeakPolarHBondContact CE2-NE2 3.04Å; F393-H398 AromaticContact CZ-CD2 3.31Å; F393-H398 WeakPolarHBondContact CZ-CD2 3.22Å; F393-H398 AromaticContact CZ-CE1 3.9Å; F393-H398 AromaticContact CZ-CG 3.77Å; F393-H398 AromaticContact CZ-NE2 3.4Å; F393-H398 WeakPolarHBondContact CZ-NE2 3.45Å; Q396-H398 PolarHBondContact O-CD2 2.91Å; H398-F411 HydrophobicContact CB-CB 4.1Å; H398-F411 HydrophobicContact CB-CD2 4.49Å; H398-F411 HydrophobicContact CB-CG 4.49Å
399	E	92.5	Very high	89.4	Confident	120 Å²	120	48.1 Å²	48.1	56%	0.561	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	132.2	177	-169.7	179.9	178	0	0	111	F411	E399-F411 WeakPolarHBondContact O-CB 3.48Å
400	A	91.5	Very high	88.5	Confident	8 Å²	8	51.4 Å²	51.4	7%	0.066	29%	0.289	C	S	.	.			trans	-96	154.1	175	0	0	0	0	0	111.3	A389 M391 T402 F411	A389-A400 PolarHBondContact O-N 3.33Å; M391-A400 HydrophobicContact CE-CB 3.79Å; A400-T402 PolarHBondContact O-N 2.84Å; A400-T402 VanDerWaalsContact O-N 3.13Å; A400-F411 HydrophobicContact CB-CD1 4.47Å; A400-F411 HydrophobicContact CB-CE1 4.41Å
401	D	90.9	Very high	88.1	Confident	26 Å²	26	51 Å²	51	14%	0.139	29%	0.287	C	S	.	.			trans	-73.6	107	174	-173.8	-4.2	0	0	0	111.4	T403 Q406 S407 G408	D401-T403 VanDerWaalsContact OD1-CB 3.32Å; D401-T403 WeakPolarHBondContact OD1-CB 3.42Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.16Å; D401-T403 PolarHBondContact OD1-N 3.07Å; D401-T403 PolarHBondContact OD1-OG1 3.47Å; D401-T403 PolarHBondContact OD2-OG1 2.72Å; D401-Q406 PolarHBondContact O-NE2 3.43Å; D401-Q406 WeakPolarHBondContact OD2-CA 3.2Å; D401-S407 PolarHBondContact OD2-N 2.81Å; D401-G408 VanDerWaalsContact CG-N 3.33Å; D401-G408 PolarHBondContact OD1-N 3.05Å; D401-G408 WeakPolarHBondContact OD2-CA 3.49Å; D401-G408 PolarHBondContact OD2-N 2.83Å
402	T	90.6	Very high	87.3	Confident	30 Å²	30	55 Å²	55	18%	0.184	31%	0.308	C	S	.	.			trans	-89.6	-3.5	179.8	59.5	0	0	0	0	113.8	Q383 A389 A400 P594	Q383-T402 PolarHBondContact NE2-O 2.92Å; A389-T402 HydrophobicContact CB-CG2 3.95Å; A400-T402 PolarHBondContact O-N 2.84Å; A400-T402 VanDerWaalsContact O-N 3.13Å; T402-P594 HydrophobicContact CG2-CB 4.16Å; T402-P594 WeakPolarHBondContact O-CG 3.45Å
403	T	87.6	Confident	86.8	Confident	23 Å²	23	60.1 Å²	60.1	14%	0.141	33%	0.327	C	S	.	.			trans	-74.2	142.1	-176.2	66.4	0	0	0	0	112.1	D401 N405 Q406 S407 L443 A597	D401-T403 VanDerWaalsContact OD1-CB 3.32Å; D401-T403 WeakPolarHBondContact OD1-CB 3.42Å; D401-T403 WeakPolarHBondContact OD1-CG2 3.16Å; D401-T403 PolarHBondContact OD1-N 3.07Å; D401-T403 PolarHBondContact OD1-OG1 3.47Å; D401-T403 PolarHBondContact OD2-OG1 2.72Å; T403-N405 WeakPolarHBondContact CB-OD1 3.31Å; T403-N405 PolarHBondContact O-N 2.99Å; T403-N405 VanDerWaalsContact O-N 3.17Å; T403-N405 PolarHBondContact OG1-OD1 3.1Å; T403-Q406 PolarHBondContact O-N 2.92Å; T403-Q406 PolarHBondContact O-NE2 3.03Å; T403-Q406 WeakPolarHBondContact OG1-CA 3.27Å; T403-Q406 PolarHBondContact OG1-N 3.19Å; T403-S407 PolarHBondContact OG1-N 2.91Å; T403-S407 PolarHBondContact OG1-OG 3.11Å; T403-L443 WeakPolarHBondContact O-CD1 3.47Å; T403-A597 HydrophobicContact CG2-CB 4.24Å
404	E	84.8	Confident	86.5	Confident	61 Å²	61	64.7 Å²	64.7	29%	0.285	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.4	-177.5	65	178.3	147.2	0	0	114.5	K444	E404-K444 IonicContact OE2-NZ 3Å
405	N	82.9	Confident	86.4	Confident	103 Å²	103	64.8 Å²	64.8	55%	0.551	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.5	3.7	-178.3	64.9	-20.1	0	0	0	113.2	T403 S407	T403-N405 WeakPolarHBondContact CB-OD1 3.31Å; T403-N405 PolarHBondContact O-N 2.99Å; T403-N405 VanDerWaalsContact O-N 3.17Å; T403-N405 PolarHBondContact OG1-OD1 3.1Å; N405-S407 PolarHBondContact ND2-OG 3.37Å; N405-S407 PolarHBondContact OD1-OG 2.82Å
406	Q	83.1	Confident	86.3	Confident	73 Å²	73	63.7 Å²	63.7	34%	0.341	36%	0.363	S	S	.	.			trans	55.7	51.3	-179.6	-60.6	-71.9	-83.2	0	0	113.3	D401 T403 L443 L462	D401-Q406 PolarHBondContact O-NE2 3.43Å; D401-Q406 WeakPolarHBondContact OD2-CA 3.2Å; T403-Q406 PolarHBondContact O-N 2.92Å; T403-Q406 PolarHBondContact O-NE2 3.03Å; T403-Q406 WeakPolarHBondContact OG1-CA 3.27Å; T403-Q406 PolarHBondContact OG1-N 3.19Å; Q406-L443 HydrophobicContact CG-CD1 4.15Å; Q406-L462 HydrophobicContact CG-CD2 4.07Å
407	S	79.8	Confident	86.3	Confident	79 Å²	79	58.1 Å²	58.1	55%	0.552	34%	0.337	S	S	*	.			trans	-98.3	-1.8	-180	55.7	0	0	0	0	114.2	D401 T403 N405	D401-S407 PolarHBondContact OD2-N 2.81Å; T403-S407 PolarHBondContact OG1-N 2.91Å; T403-S407 PolarHBondContact OG1-OG 3.11Å; N405-S407 PolarHBondContact ND2-OG 3.37Å; N405-S407 PolarHBondContact OD1-OG 2.82Å
408	G	75.1	Confident	86.3	Confident	40 Å²	40	55.7 Å²	55.7	41%	0.412	32%	0.324	S	S	.	.	S	Bend	trans	-82.8	-179.4	-179.8	0	0	0	0	0	113.8	D401	D401-G408 VanDerWaalsContact CG-N 3.33Å; D401-G408 PolarHBondContact OD1-N 3.05Å; D401-G408 WeakPolarHBondContact OD2-CA 3.49Å; D401-G408 PolarHBondContact OD2-N 2.83Å
409	T	74.3	Confident	86.2	Confident	112 Å²	112	56.9 Å²	56.9	69%	0.687	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-78.8	136.1	177	37.2	0	0	0	0	111.4
410	S	74.6	Confident	86.2	Confident	74 Å²	74	52 Å²	52	52%	0.517	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-79.3	143.9	170.4	-176.4	0	0	0	0	110.7	R413	S410-R413 PolarHBondContact OG-NE 3.12Å; S410-R413 PolarHBondContact OG-NH2 2.83Å
411	F	85.6	Confident	86.4	Confident	20 Å²	20	51.7 Å²	51.7	9%	0.088	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-80.7	168.4	166.6	64	-79.9	0	0	0	112.1	M391 H398 E399 A400 R413 W418	M391-F411 HydrophobicContact CE-CD1 3.63Å; M391-F411 HydrophobicContact CE-CD2 3.91Å; M391-F411 HydrophobicContact CE-CE1 3.54Å; M391-F411 HydrophobicContact CE-CE2 3.81Å; M391-F411 HydrophobicContact CE-CG 3.83Å; M391-F411 HydrophobicContact CE-CZ 3.63Å; M391-F411 HydrophobicContact SD-CE1 4.22Å; M391-F411 HydrophobicContact SD-CE2 4.04Å; M391-F411 HydrophobicContact SD-CZ 3.8Å; H398-F411 HydrophobicContact CB-CB 4.1Å; H398-F411 HydrophobicContact CB-CD2 4.49Å; H398-F411 HydrophobicContact CB-CG 4.49Å; E399-F411 WeakPolarHBondContact O-CB 3.48Å; A400-F411 HydrophobicContact CB-CD1 4.47Å; A400-F411 HydrophobicContact CB-CE1 4.41Å; F411-R413 HydrophobicContact CE2-CG 4.25Å; F411-W418 AromaticContact CE2-CD2 3.8Å; F411-W418 HydrophobicContact CE2-CD2 3.8Å; F411-W418 AromaticContact CE2-CE2 3.74Å; F411-W418 AromaticContact CE2-CE3 3.9Å; F411-W418 HydrophobicContact CE2-CE3 3.9Å; F411-W418 HydrophobicContact CE2-CG 4.49Å; F411-W418 AromaticContact CE2-CH2 3.91Å; F411-W418 HydrophobicContact CE2-CH2 3.91Å; F411-W418 AromaticContact CE2-CZ2 3.81Å; F411-W418 HydrophobicContact CE2-CZ2 3.81Å; F411-W418 AromaticContact CE2-CZ3 3.96Å; F411-W418 HydrophobicContact CE2-CZ3 3.96Å; F411-W418 HydrophobicContact CZ-CD2 4.41Å; F411-W418 AromaticContact CZ-CE2 3.95Å; F411-W418 HydrophobicContact CZ-CE3 4.44Å; F411-W418 AromaticContact CZ-CH2 3.6Å; F411-W418 HydrophobicContact CZ-CH2 3.6Å; F411-W418 AromaticContact CZ-CZ2 3.54Å; F411-W418 HydrophobicContact CZ-CZ2 3.54Å; F411-W418 HydrophobicContact CZ-CZ3 4.07Å
412	D	80.5	Confident	86.6	Confident	85 Å²	85	50.5 Å²	50.5	46%	0.455	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-69.3	126.4	177.5	-177	15.3	0	0	0	111.6	S414	D412-S414 VanDerWaalsContact CG-OG 3.31Å; D412-S414 VanDerWaalsContact OD1-CB 3.26Å; D412-S414 WeakPolarHBondContact OD1-CB 3.36Å; D412-S414 PolarHBondContact OD1-N 3.4Å; D412-S414 PolarHBondContact OD1-OG 3.26Å; D412-S414 PolarHBondContact OD2-OG 3.02Å; D412-S414 VanDerWaalsContact OD2-OG 3.11Å
413	R	85.8	Confident	86.8	Confident	113 Å²	113	50.9 Å²	50.9	43%	0.426	31%	0.307	S	S	.	.			trans	-110.9	2.8	-178.8	-55.4	177.8	-165	-178.3	4.8	112.6	S410 F411 C463	S410-R413 PolarHBondContact OG-NE 3.12Å; S410-R413 PolarHBondContact OG-NH2 2.83Å; F411-R413 HydrophobicContact CE2-CG 4.25Å; R413-C463 PolarHBondContact NH1-O 3.31Å
414	S	87.6	Confident	87.2	Confident	97 Å²	97	49.8 Å²	49.8	68%	0.678	30%	0.3	S	S	*	.			trans	-80.2	-23.5	-172.6	69.4	0	0	0	0	113.6	D412	D412-S414 VanDerWaalsContact CG-OG 3.31Å; D412-S414 VanDerWaalsContact OD1-CB 3.26Å; D412-S414 WeakPolarHBondContact OD1-CB 3.36Å; D412-S414 PolarHBondContact OD1-N 3.4Å; D412-S414 PolarHBondContact OD1-OG 3.26Å; D412-S414 PolarHBondContact OD2-OG 3.02Å; D412-S414 VanDerWaalsContact OD2-OG 3.11Å
415	S	91.5	Very high	87.8	Confident	17 Å²	17	46.9 Å²	46.9	12%	0.119	29%	0.287	C	S	.	.			trans	-64.9	135.8	-179.8	-179.9	0	0	0	0	112.2	D394 T417 W418 A419	D394-S415 WeakPolarHBondContact OD2-CB 3.49Å; D394-S415 PolarHBondContact OD2-OG 3.31Å; S415-T417 PolarHBondContact O-N 3.4Å; S415-T417 WeakPolarHBondContact OG-CB 3.27Å; S415-T417 PolarHBondContact OG-N 3Å; S415-T417 PolarHBondContact OG-OG1 2.92Å; S415-W418 WeakPolarHBondContact O-CB 3.15Å; S415-W418 PolarHBondContact O-N 3.38Å; S415-A419 PolarHBondContact O-N 2.84Å
416	A	90.9	Very high	88.3	Confident	54 Å²	54	42 Å²	42	45%	0.446	26%	0.26	S	S	.	.	H	α-helix	trans	-63.1	-28.6	172.3	0	0	0	0	0	112	W418 A419 S420	A416-W418 VanDerWaalsContact C-N 3.34Å; A416-A419 PolarHBondContact O-N 3.47Å; A416-S420 PolarHBondContact O-N 3.47Å; A416-S420 VanDerWaalsContact O-N 3.13Å
417	T	93.8	Very high	89	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-62.7	-42.2	175.5	-47.9	0	0	0	0	110.9	F393 D394 S415 A419 S420 L421 V522 H524 G525 I586	F393-T417 HydrophobicContact CB-CG2 3.9Å; F393-T417 HydrophobicContact CD2-CG2 4.38Å; D394-T417 WeakPolarHBondContact OD1-CB 3.36Å; D394-T417 WeakPolarHBondContact OD1-CG2 3.42Å; D394-T417 PolarHBondContact OD1-OG1 3.22Å; S415-T417 PolarHBondContact O-N 3.4Å; S415-T417 WeakPolarHBondContact OG-CB 3.27Å; S415-T417 PolarHBondContact OG-N 3Å; S415-T417 PolarHBondContact OG-OG1 2.92Å; T417-A419 PolarHBondContact O-N 3.38Å; T417-S420 PolarHBondContact O-N 3.05Å; T417-L421 WeakPolarHBondContact O-CB 3.46Å; T417-L421 PolarHBondContact O-N 3.36Å; T417-V522 HydrophobicContact CG2-CB 4.29Å; T417-V522 HydrophobicContact CG2-CG1 4.07Å; T417-H524 PolarHBondContact OG1-N 3.19Å; T417-G525 PolarHBondContact OG1-N 3.04Å; T417-I586 HydrophobicContact CG2-CG2 4.11Å
418	W	94.7	Very high	89.7	Confident	8 Å²	8	34.8 Å²	34.8	3%	0.03	22%	0.218	C	C	.	.	H	α-helix	trans	-60.7	-44.9	174	167.8	-112.6	0	0	0	111.9	M391 F393 F411 S415 A416 S420 L421 A422 I460 C463 M589	M391-W418 HydrophobicContact CG-CZ3 4.38Å; M391-W418 HydrophobicContact SD-CE3 4.29Å; M391-W418 HydrophobicContact SD-CH2 3.7Å; M391-W418 HydrophobicContact SD-CZ3 3.35Å; M391-W418 WeakPolarHBondContact SD-CZ3 3.48Å; F393-W418 HydrophobicContact CD1-CE3 4.48Å; F393-W418 AromaticContact CE1-CE3 3.95Å; F393-W418 HydrophobicContact CE1-CE3 3.95Å; F393-W418 HydrophobicContact CE2-CB 4.07Å; F393-W418 HydrophobicContact CZ-CB 3.99Å; F393-W418 HydrophobicContact CZ-CE3 4.43Å; F411-W418 AromaticContact CE2-CD2 3.8Å; F411-W418 HydrophobicContact CE2-CD2 3.8Å; F411-W418 AromaticContact CE2-CE2 3.74Å; F411-W418 AromaticContact CE2-CE3 3.9Å; F411-W418 HydrophobicContact CE2-CE3 3.9Å; F411-W418 HydrophobicContact CE2-CG 4.49Å; F411-W418 AromaticContact CE2-CH2 3.91Å; F411-W418 HydrophobicContact CE2-CH2 3.91Å; F411-W418 AromaticContact CE2-CZ2 3.81Å; F411-W418 HydrophobicContact CE2-CZ2 3.81Å; F411-W418 AromaticContact CE2-CZ3 3.96Å; F411-W418 HydrophobicContact CE2-CZ3 3.96Å; F411-W418 HydrophobicContact CZ-CD2 4.41Å; F411-W418 AromaticContact CZ-CE2 3.95Å; F411-W418 HydrophobicContact CZ-CE3 4.44Å; F411-W418 AromaticContact CZ-CH2 3.6Å; F411-W418 HydrophobicContact CZ-CH2 3.6Å; F411-W418 AromaticContact CZ-CZ2 3.54Å; F411-W418 HydrophobicContact CZ-CZ2 3.54Å; F411-W418 HydrophobicContact CZ-CZ3 4.07Å; S415-W418 WeakPolarHBondContact O-CB 3.15Å; S415-W418 PolarHBondContact O-N 3.38Å; A416-W418 VanDerWaalsContact C-N 3.34Å; W418-S420 VanDerWaalsContact C-N 3.25Å; W418-S420 PolarHBondContact O-N 3.25Å; W418-L421 HydrophobicContact CE3-CB 4.37Å; W418-L421 HydrophobicContact CE3-CD2 4.24Å; W418-L421 HydrophobicContact CZ3-CD2 4.3Å; W418-L421 PolarHBondContact O-N 3.09Å; W418-L421 VanDerWaalsContact O-N 3.1Å; W418-A422 HydrophobicContact CD2-CB 4.37Å; W418-A422 HydrophobicContact CH2-CB 4.27Å; W418-A422 HydrophobicContact CZ2-CB 3.91Å; W418-A422 VanDerWaalsContact O-CB 3.31Å; W418-A422 WeakPolarHBondContact O-CB 3.47Å; W418-A422 PolarHBondContact O-N 3.49Å; W418-I460 HydrophobicContact CH2-CD1 4.18Å; W418-C463 HydrophobicContact CZ2-CB 4.08Å; W418-M589 HydrophobicContact CH2-CE 4.08Å; W418-M589 HydrophobicContact CZ3-CE 3.7Å
419	A	92.4	Very high	90.7	Very high	51 Å²	51	33 Å²	33	42%	0.421	20%	0.199	S	C	.	.	H	α-helix	trans	-60.5	-36.3	178.8	0	0	0	0	0	112.3	S415 A416 T417 R423	S415-A419 PolarHBondContact O-N 2.84Å; A416-A419 PolarHBondContact O-N 3.47Å; T417-A419 PolarHBondContact O-N 3.38Å; A419-R423 VanDerWaalsContact O-CB 3.32Å; A419-R423 WeakPolarHBondContact O-CB 3.47Å; A419-R423 PolarHBondContact O-N 3.02Å
420	S	93.1	Very high	91.4	Very high	19 Å²	19	34.4 Å²	34.4	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-68.7	-45	171.8	-68.2	0	0	0	0	111.9	A416 T417 W418 R423 I424	A416-S420 PolarHBondContact O-N 3.47Å; A416-S420 VanDerWaalsContact O-N 3.13Å; T417-S420 PolarHBondContact O-N 3.05Å; W418-S420 VanDerWaalsContact C-N 3.25Å; W418-S420 PolarHBondContact O-N 3.25Å; S420-R423 WeakPolarHBondContact O-CB 3.38Å; S420-R423 PolarHBondContact O-N 2.76Å; S420-I424 VanDerWaalsContact O-CG1 3.31Å; S420-I424 WeakPolarHBondContact O-CG1 3.45Å; S420-I424 PolarHBondContact O-N 3.44Å
421	L	95.8	Very high	92.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.6	-47.5	179.8	-172.8	55.7	0	0	0	112	F393 T417 W418 R423 I424 A425 F555 I586 M589	F393-L421 HydrophobicContact CB-CD2 4.32Å; F393-L421 HydrophobicContact CD1-CD2 3.92Å; F393-L421 HydrophobicContact CG-CD2 4.45Å; T417-L421 WeakPolarHBondContact O-CB 3.46Å; T417-L421 PolarHBondContact O-N 3.36Å; W418-L421 HydrophobicContact CE3-CB 4.37Å; W418-L421 HydrophobicContact CE3-CD2 4.24Å; W418-L421 HydrophobicContact CZ3-CD2 4.3Å; W418-L421 PolarHBondContact O-N 3.09Å; W418-L421 VanDerWaalsContact O-N 3.1Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 3.44Å; L421-I424 PolarHBondContact O-N 3Å; L421-A425 PolarHBondContact O-N 3.01Å; L421-F555 HydrophobicContact CD1-CB 3.51Å; L421-F555 HydrophobicContact CD1-CD2 4.05Å; L421-F555 HydrophobicContact CD1-CG 3.83Å; L421-I586 HydrophobicContact CB-CG2 3.62Å; L421-I586 HydrophobicContact CD1-CB 4.39Å; L421-I586 HydrophobicContact CD1-CG2 4.01Å; L421-I586 HydrophobicContact CG-CG2 4.33Å; L421-M589 HydrophobicContact CD1-CE 4.23Å; L421-M589 HydrophobicContact CD2-CE 3.95Å; L421-M589 HydrophobicContact CD2-CG 4.41Å; L421-M589 HydrophobicContact CG-CE 3.57Å
422	A	94.9	Very high	92.5	Very high	2 Å²	2	33.3 Å²	33.3	2%	0.017	18%	0.183	C	C	.	.	H	α-helix	trans	-60.3	-39	176.7	0	0	0	0	0	112.2	W418 A425 G426 I460 C464	W418-A422 HydrophobicContact CD2-CB 4.37Å; W418-A422 HydrophobicContact CH2-CB 4.27Å; W418-A422 HydrophobicContact CZ2-CB 3.91Å; W418-A422 VanDerWaalsContact O-CB 3.31Å; W418-A422 WeakPolarHBondContact O-CB 3.47Å; W418-A422 PolarHBondContact O-N 3.49Å; A422-A425 PolarHBondContact O-N 2.78Å; A422-G426 PolarHBondContact O-N 3.29Å; A422-I460 HydrophobicContact CB-CD1 3.92Å; A422-C464 VanDerWaalsContact CB-SG 3.58Å
423	R	94.4	Very high	93	Very high	37 Å²	37	31.6 Å²	31.6	14%	0.14	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-45.8	175.6	-164	-169.3	-34.8	-173.3	15	111.2	A419 S420 L421 G426 L427 Y474 E500	A419-R423 VanDerWaalsContact O-CB 3.32Å; A419-R423 WeakPolarHBondContact O-CB 3.47Å; A419-R423 PolarHBondContact O-N 3.02Å; S420-R423 WeakPolarHBondContact O-CB 3.38Å; S420-R423 PolarHBondContact O-N 2.76Å; L421-R423 VanDerWaalsContact C-N 3.29Å; L421-R423 PolarHBondContact O-N 3.44Å; R423-G426 PolarHBondContact O-N 2.93Å; R423-L427 HydrophobicContact CG-CD1 3.81Å; R423-L427 HydrophobicContact CG-CG 4.27Å; R423-L427 VanDerWaalsContact O-CB 3.3Å; R423-L427 WeakPolarHBondContact O-CB 3.37Å; R423-L427 VanDerWaalsContact O-CG 3.23Å; R423-L427 WeakPolarHBondContact O-CG 3.41Å; R423-L427 PolarHBondContact O-N 3.07Å; R423-Y474 HydrophobicContact CG-CE2 4.43Å; R423-Y474 PolarHBondContact NH1-OH 3.07Å; R423-Y474 VanDerWaalsContact NH1-OH 3.13Å; R423-E500 IonicContact NH1-OE2 3.69Å
424	I	96.1	Very high	93	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-61.7	-47.4	177.4	-60.2	163.6	0	0	0	110	S420 L421 G426 L427 C428 V506 F555 H557 I586	S420-I424 VanDerWaalsContact O-CG1 3.31Å; S420-I424 WeakPolarHBondContact O-CG1 3.45Å; S420-I424 PolarHBondContact O-N 3.44Å; L421-I424 PolarHBondContact O-N 3Å; I424-G426 VanDerWaalsContact C-N 3.3Å; I424-G426 PolarHBondContact O-N 3.05Å; I424-L427 PolarHBondContact O-N 3.47Å; I424-C428 HydrophobicContact CG2-CB 4.37Å; I424-C428 VanDerWaalsContact O-CB 3.27Å; I424-C428 WeakPolarHBondContact O-CB 3.36Å; I424-C428 PolarHBondContact O-N 2.74Å; I424-V506 HydrophobicContact CB-CG1 4.48Å; I424-V506 HydrophobicContact CG1-CB 4.4Å; I424-V506 HydrophobicContact CG1-CG1 3.93Å; I424-V506 HydrophobicContact CG2-CB 4.09Å; I424-V506 HydrophobicContact CG2-CG1 4.48Å; I424-F555 HydrophobicContact CB-CD1 4.37Å; I424-F555 HydrophobicContact CD1-CB 4.48Å; I424-F555 HydrophobicContact CG2-CB 4.09Å; I424-F555 HydrophobicContact CG2-CD1 3.68Å; I424-F555 HydrophobicContact CG2-CG 4.38Å; I424-H557 HydrophobicContact CD1-CB 3.83Å; I424-H557 HydrophobicContact CG1-CB 4.1Å; I424-I586 HydrophobicContact CD1-CB 3.92Å; I424-I586 HydrophobicContact CD1-CG1 3.41Å; I424-I586 VanDerWaalsContact CD1-CG1 3.41Å; I424-I586 HydrophobicContact CD1-CG2 4.39Å
425	A	96.4	Very high	92.9	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-62.7	-33.8	179.4	0	0	0	0	0	113.4	L421 A422 N429 L456 I460 F555 M589	L421-A425 PolarHBondContact O-N 3.01Å; A422-A425 PolarHBondContact O-N 2.78Å; A425-N429 VanDerWaalsContact O-CB 3.29Å; A425-N429 WeakPolarHBondContact O-CB 3.37Å; A425-N429 PolarHBondContact O-ND2 3.4Å; A425-L456 HydrophobicContact CB-CD2 4.33Å; A425-I460 HydrophobicContact CB-CD1 3.92Å; A425-I460 HydrophobicContact CB-CG1 3.87Å; A425-F555 HydrophobicContact CB-CE1 4.16Å; A425-M589 HydrophobicContact CB-CE 3.82Å; A425-M589 HydrophobicContact CB-SD 4.17Å
426	G	95.1	Very high	92.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-75.7	-42	175.4	0	0	0	0	0	113.9	A422 R423 I424 R471	A422-G426 PolarHBondContact O-N 3.29Å; R423-G426 PolarHBondContact O-N 2.93Å; I424-G426 VanDerWaalsContact C-N 3.3Å; I424-G426 PolarHBondContact O-N 3.05Å; G426-R471 PolarHBondContact O-NE 2.87Å; G426-R471 PolarHBondContact O-NH2 2.91Å
427	L	95.8	Very high	91.9	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-82.8	-47.7	-175	-66.7	-175.4	0	0	0	113.6	R423 I424 N429 M470 R471 Y474 V506	R423-L427 HydrophobicContact CG-CD1 3.81Å; R423-L427 HydrophobicContact CG-CG 4.27Å; R423-L427 VanDerWaalsContact O-CB 3.3Å; R423-L427 WeakPolarHBondContact O-CB 3.37Å; R423-L427 VanDerWaalsContact O-CG 3.23Å; R423-L427 WeakPolarHBondContact O-CG 3.41Å; R423-L427 PolarHBondContact O-N 3.07Å; I424-L427 PolarHBondContact O-N 3.47Å; L427-N429 PolarHBondContact O-N 3.03Å; L427-M470 HydrophobicContact CD2-CG 4.33Å; L427-R471 HydrophobicContact CD2-CG 4.1Å; L427-Y474 HydrophobicContact CD1-CD1 4.39Å; L427-Y474 HydrophobicContact CD1-CD2 4.22Å; L427-Y474 HydrophobicContact CD1-CG 3.91Å; L427-Y474 HydrophobicContact CD2-CD2 4.39Å; L427-Y474 HydrophobicContact CD2-CG 4.38Å; L427-V506 HydrophobicContact CB-CG2 4.28Å
428	C	96.1	Very high	91.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-80.7	52.1	-178.9	-166.6	0	0	0	0	110.8	I424 Q489 V506 K508	I424-C428 HydrophobicContact CG2-CB 4.37Å; I424-C428 VanDerWaalsContact O-CB 3.27Å; I424-C428 WeakPolarHBondContact O-CB 3.36Å; I424-C428 PolarHBondContact O-N 2.74Å; C428-Q489 PolarHBondContact SG-O 3.01Å; C428-V506 HydrophobicContact CB-CB 4.21Å; C428-V506 HydrophobicContact CB-CG2 3.72Å; C428-K508 VanDerWaalsContact O-CD 3.28Å; C428-K508 WeakPolarHBondContact O-CD 3.18Å; C428-K508 WeakPolarHBondContact O-CE 3.45Å; C428-K508 PolarHBondContact O-NZ 3.05Å
429	N	94.5	Very high	90.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	27%	0.274	C	S	.	.			trans	-151.4	135.7	-170.7	-173.6	-25.5	0	0	0	110.3	A425 L427 A431 E453 R471	A425-N429 VanDerWaalsContact O-CB 3.29Å; A425-N429 WeakPolarHBondContact O-CB 3.37Å; A425-N429 PolarHBondContact O-ND2 3.4Å; L427-N429 PolarHBondContact O-N 3.03Å; N429-A431 VanDerWaalsContact OD1-CB 3.26Å; N429-A431 WeakPolarHBondContact OD1-CB 3.26Å; N429-A431 PolarHBondContact OD1-N 3.1Å; N429-E453 WeakPolarHBondContact CA-OE1 3.38Å; N429-E453 PolarHBondContact ND2-O 2.59Å; N429-E453 WeakPolarHBondContact OD1-CB 3.25Å; N429-R471 PolarHBondContact O-NH2 2.84Å; N429-R471 VanDerWaalsContact O-NH2 3.16Å
430	R	90.7	Very high	90.8	Very high	142 Å²	142	51.5 Å²	51.5	54%	0.536	27%	0.27	S	S	.	.			trans	-100.3	-10.6	-179.5	-59.7	171	68	-166	1.7	113.1	E453	R430-E453 WeakPolarHBondContact CA-OE2 3.3Å; R430-E453 WeakPolarHBondContact CB-OE2 3.43Å; R430-E453 PolarHBondContact N-OE1 2.82Å; R430-E453 VanDerWaalsContact N-OE1 3.12Å; R430-E453 PolarHBondContact N-OE2 3.34Å; R430-E453 VanDerWaalsContact N-OE2 3.09Å
431	A	90.4	Very high	90.7	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.29	C	S	.	.			trans	-62.7	139.6	178.9	0	0	0	0	0	112.1	N429 V447 A448 E453 L457 R471	N429-A431 VanDerWaalsContact OD1-CB 3.26Å; N429-A431 WeakPolarHBondContact OD1-CB 3.26Å; N429-A431 PolarHBondContact OD1-N 3.1Å; A431-V447 HydrophobicContact CB-CG1 3.68Å; A431-A448 VanDerWaalsContact CA-O 3.27Å; A431-A448 WeakPolarHBondContact CA-O 3.45Å; A431-E453 HydrophobicContact CB-CB 3.77Å; A431-E453 PolarHBondContact N-OE2 3.29Å; A431-L457 HydrophobicContact CB-CB 4.18Å; A431-L457 HydrophobicContact CB-CD2 4Å; A431-R471 PolarHBondContact O-NH1 3.12Å; A431-R471 PolarHBondContact O-NH2 3.44Å
432	V	91.1	Very high	90.5	Very high	72 Å²	72	56.3 Å²	56.3	44%	0.436	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147	175.8	-65.9	0	0	0	0	110.9	V447 A448	V432-V447 CarbonylContact O-C 3.59Å; V432-V447 WeakPolarHBondContact O-CA 3.41Å; V432-V447 WeakPolarHBondContact O-CG1 3.33Å; V432-A448 HydrophobicContact CG2-CB 4.05Å; V432-A448 PolarHBondContact N-O 2.62Å; V432-A448 PolarHBondContact O-N 3.18Å
433	F	91.3	Very high	90.3	Very high	49 Å²	49	56.6 Å²	56.6	22%	0.215	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	144.4	170.3	-65.1	-66.6	0	0	0	110.6	I442 R445 V447 L457 K458 E461	F433-I442 HydrophobicContact CZ-CG2 4.08Å; F433-R445 HydrophobicContact CD1-CB 3.56Å; F433-R445 HydrophobicContact CD1-CG 4.4Å; F433-R445 HydrophobicContact CE1-CB 3.77Å; F433-V447 HydrophobicContact CD1-CG2 3.65Å; F433-V447 HydrophobicContact CE1-CG2 3.69Å; F433-L457 HydrophobicContact CD1-CD2 4.34Å; F433-L457 HydrophobicContact CD2-CD2 4.11Å; F433-L457 HydrophobicContact CE1-CD2 4.18Å; F433-L457 HydrophobicContact CE2-CD1 4.28Å; F433-L457 HydrophobicContact CE2-CD2 3.94Å; F433-L457 HydrophobicContact CE2-CG 3.92Å; F433-L457 HydrophobicContact CG-CD2 4.3Å; F433-L457 HydrophobicContact CZ-CD2 3.97Å; F433-L457 HydrophobicContact CZ-CG 3.94Å; F433-K458 HydrophobicContact CE1-CG 4.1Å; F433-K458 HydrophobicContact CZ-CG 4.25Å; F433-E461 HydrophobicContact CE2-CB 4.17Å; F433-E461 HydrophobicContact CE2-CG 3.82Å; F433-E461 HydrophobicContact CZ-CB 4.22Å; F433-E461 HydrophobicContact CZ-CG 4.13Å
434	L	87.3	Confident	89.9	Confident	85 Å²	85	60.4 Å²	60.4	45%	0.445	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-68.2	159.3	170.8	-62.8	-175.3	0	0	0	111.2	D446 A448	L434-D446 HydrophobicContact CD1-CB 3.7Å; L434-D446 HydrophobicContact CG-CB 4.13Å; L434-D446 PolarHBondContact N-O 3.3Å; L434-D446 VanDerWaalsContact N-O 3.15Å; L434-A448 HydrophobicContact CD2-CB 3.93Å
435	A	84.1	Confident	89.7	Confident	89 Å²	89	62 Å²	62	74%	0.736	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	153	-178.9	0	0	0	0	0	112.3	Q437	A435-Q437 WeakPolarHBondContact O-CG 3.42Å; A435-Q437 PolarHBondContact O-N 3.18Å
436	E	79.8	Confident	89.2	Confident	196 Å²	196	66.5 Å²	66.5	92%	0.916	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	26.2	170.9	-54.1	-172.3	162.2	0	0	117
437	Q	83.2	Confident	88.8	Confident	28 Å²	28	68 Å²	68	13%	0.131	36%	0.356	C	S	.	.			trans	-106.1	18	-177.4	-54.8	-161.8	-16.7	0	0	115.7	A435 N439 V440 R445 D446	A435-Q437 WeakPolarHBondContact O-CG 3.42Å; A435-Q437 PolarHBondContact O-N 3.18Å; Q437-N439 PolarHBondContact O-N 3.33Å; Q437-V440 PolarHBondContact O-N 2.77Å; Q437-V440 VanDerWaalsContact O-N 3.1Å; Q437-R445 HydrophobicContact CB-CG 4.12Å; Q437-R445 PolarHBondContact O-NE 3.47Å; Q437-R445 VanDerWaalsContact O-NE 3.16Å; Q437-R445 VanDerWaalsContact OE1-CA 3.32Å; Q437-D446 PolarHBondContact NE2-OD2 2.99Å; Q437-D446 PolarHBondContact OE1-O 3.15Å
438	N	80.9	Confident	88.2	Confident	132 Å²	132	70.1 Å²	70.1	71%	0.706	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-30.1	-175.3	-69.1	-19.9	0	0	0	113.7	V440 R445	N438-V440 VanDerWaalsContact C-N 3.32Å; N438-R445 PolarHBondContact O-NH2 2.91Å; N438-R445 VanDerWaalsContact O-NH2 3.16Å
439	N	86.4	Confident	87.5	Confident	169 Å²	169	72.1 Å²	72.1	90%	0.904	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-6.6	179.8	-69.7	-11.5	0	0	0	113.8	Q437	Q437-N439 PolarHBondContact O-N 3.33Å
440	V	89.3	Confident	86.9	Confident	58 Å²	58	74.3 Å²	74.3	35%	0.352	41%	0.407	S	S	.	.	S	Bend	trans	-95.1	139.4	179.1	-176.6	0	0	0	0	109.2	Q437 N438 K444 R445	Q437-V440 PolarHBondContact O-N 2.77Å; Q437-V440 VanDerWaalsContact O-N 3.1Å; N438-V440 VanDerWaalsContact C-N 3.32Å; V440-K444 HydrophobicContact CG1-CB 3.8Å; V440-R445 HydrophobicContact CB-CG 4.13Å; V440-R445 HydrophobicContact CG1-CG 4.3Å; V440-R445 PolarHBondContact O-NE 3.38Å; V440-R445 PolarHBondContact O-NH2 3.41Å
441	P	90.7	Very high	86.6	Confident	82 Å²	82	69.3 Å²	69.3	53%	0.532	40%	0.396	S	S	.	.			trans	-54.4	140.8	173.9	-26.2	34.6	0	0	0	112.3	L443 K444 R445	P441-L443 VanDerWaalsContact C-N 3.26Å; P441-L443 PolarHBondContact O-N 2.83Å; P441-L443 VanDerWaalsContact O-N 3.12Å; P441-K444 CarbonylContact O-C 3.55Å; P441-K444 WeakPolarHBondContact O-CA 3.35Å; P441-K444 PolarHBondContact O-N 2.9Å; P441-R445 PolarHBondContact O-N 3.19Å; P441-R445 VanDerWaalsContact O-N 3.16Å
442	I	91.8	Very high	86.6	Confident	38 Å²	38	69.8 Å²	69.8	20%	0.195	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-49.7	-45.8	-172.4	-62.9	167.1	0	0	0	112.3	F433 K444 R445 K458 E461 L462	F433-I442 HydrophobicContact CZ-CG2 4.08Å; I442-K444 VanDerWaalsContact C-N 3.26Å; I442-K444 PolarHBondContact O-N 3.24Å; I442-R445 PolarHBondContact O-N 3.2Å; I442-K458 HydrophobicContact CG2-CB 4.46Å; I442-K458 HydrophobicContact CG2-CG 4.44Å; I442-E461 HydrophobicContact CD1-CG 4.04Å; I442-E461 HydrophobicContact CG1-CG 4.29Å; I442-E461 HydrophobicContact CG2-CB 3.96Å; I442-E461 HydrophobicContact CG2-CG 3.93Å; I442-L462 HydrophobicContact CB-CD2 4.39Å; I442-L462 HydrophobicContact CB-CG 4.23Å; I442-L462 HydrophobicContact CD1-CD2 3.99Å; I442-L462 HydrophobicContact CD1-CG 4.05Å; I442-L462 HydrophobicContact CG2-CD1 4.38Å; I442-L462 HydrophobicContact CG2-CG 4.05Å
443	L	90.3	Very high	86.6	Confident	8 Å²	8	66.8 Å²	66.8	4%	0.042	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-64.4	-27.3	-179.5	-72.3	-177.4	0	0	0	114.1	R385 T403 Q406 P441 K458 L462	R385-L443 WeakPolarHBondContact CD-O 3.37Å; R385-L443 PolarHBondContact NH1-O 2.79Å; T403-L443 WeakPolarHBondContact O-CD1 3.47Å; Q406-L443 HydrophobicContact CG-CD1 4.15Å; P441-L443 VanDerWaalsContact C-N 3.26Å; P441-L443 PolarHBondContact O-N 2.83Å; P441-L443 VanDerWaalsContact O-N 3.12Å; L443-K458 HydrophobicContact CD2-CB 4.27Å; L443-K458 PolarHBondContact O-NZ 3.15Å; L443-L462 HydrophobicContact CD1-CD1 4.43Å; L443-L462 HydrophobicContact CD2-CD1 3.51Å; L443-L462 HydrophobicContact CG-CD1 3.8Å
444	K	87.8	Confident	86.6	Confident	117 Å²	117	65.1 Å²	65.1	51%	0.509	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-96.8	-2.6	180	-66.7	-171.3	177.8	-173.8	0	113.7	E404 V440 P441 I442	E404-K444 IonicContact OE2-NZ 3Å; V440-K444 HydrophobicContact CG1-CB 3.8Å; P441-K444 CarbonylContact O-C 3.55Å; P441-K444 WeakPolarHBondContact O-CA 3.35Å; P441-K444 PolarHBondContact O-N 2.9Å; I442-K444 VanDerWaalsContact C-N 3.26Å; I442-K444 PolarHBondContact O-N 3.24Å
445	R	90.1	Very high	86.9	Confident	35 Å²	35	61.2 Å²	61.2	13%	0.132	36%	0.355	C	S	.	.	S	Bend	trans	-67.5	141.1	172.9	-65.6	179.2	-173.3	171.8	-2.4	110.4	F433 Q437 N438 V440 P441 I442 K458	F433-R445 HydrophobicContact CD1-CB 3.56Å; F433-R445 HydrophobicContact CD1-CG 4.4Å; F433-R445 HydrophobicContact CE1-CB 3.77Å; Q437-R445 HydrophobicContact CB-CG 4.12Å; Q437-R445 PolarHBondContact O-NE 3.47Å; Q437-R445 VanDerWaalsContact O-NE 3.16Å; Q437-R445 VanDerWaalsContact OE1-CA 3.32Å; N438-R445 PolarHBondContact O-NH2 2.91Å; N438-R445 VanDerWaalsContact O-NH2 3.16Å; V440-R445 HydrophobicContact CB-CG 4.13Å; V440-R445 HydrophobicContact CG1-CG 4.3Å; V440-R445 PolarHBondContact O-NE 3.38Å; V440-R445 PolarHBondContact O-NH2 3.41Å; P441-R445 PolarHBondContact O-N 3.19Å; P441-R445 VanDerWaalsContact O-N 3.16Å; I442-R445 PolarHBondContact O-N 3.2Å; R445-K458 WeakPolarHBondContact O-CE 3.31Å; R445-K458 PolarHBondContact O-NZ 3.28Å
446	D	86.1	Confident	87.5	Confident	95 Å²	95	57 Å²	57	51%	0.508	32%	0.32	S	S	.	.			trans	-74.6	140.6	171.6	-56.9	-48.3	0	0	0	109.9	L434 Q437	L434-D446 HydrophobicContact CD1-CB 3.7Å; L434-D446 HydrophobicContact CG-CB 4.13Å; L434-D446 PolarHBondContact N-O 3.3Å; L434-D446 VanDerWaalsContact N-O 3.15Å; Q437-D446 PolarHBondContact NE2-OD2 2.99Å; Q437-D446 PolarHBondContact OE1-O 3.15Å
447	V	86.5	Confident	88.2	Confident	30 Å²	30	47.8 Å²	47.8	18%	0.182	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.6	-175.1	177.5	0	0	0	0	108.4	A431 V432 F433 A454 L457	A431-V447 HydrophobicContact CB-CG1 3.68Å; V432-V447 CarbonylContact O-C 3.59Å; V432-V447 WeakPolarHBondContact O-CA 3.41Å; V432-V447 WeakPolarHBondContact O-CG1 3.33Å; F433-V447 HydrophobicContact CD1-CG2 3.65Å; F433-V447 HydrophobicContact CE1-CG2 3.69Å; V447-A454 HydrophobicContact CB-CB 3.9Å; V447-A454 HydrophobicContact CG1-CB 3.62Å; V447-A454 HydrophobicContact CG2-CB 4.31Å; V447-L457 HydrophobicContact CG1-CD2 3.86Å; V447-L457 HydrophobicContact CG2-CD2 4.2Å
448	A	85	Confident	88.8	Confident	47 Å²	47	47.4 Å²	47.4	39%	0.388	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	110.7	165.3	0	0	0	0	0	108.5	A431 V432 L434	A431-A448 VanDerWaalsContact CA-O 3.27Å; A431-A448 WeakPolarHBondContact CA-O 3.45Å; V432-A448 HydrophobicContact CG2-CB 4.05Å; V432-A448 PolarHBondContact N-O 2.62Å; V432-A448 PolarHBondContact O-N 3.18Å; L434-A448 HydrophobicContact CD2-CB 3.93Å
449	G	80.6	Confident	89.4	Confident	42 Å²	42	41.8 Å²	41.8	43%	0.433	25%	0.246	S	C	.	.	S	Bend	trans	156.4	173.1	-178	0	0	0	0	0	110.8
450	D	81.9	Confident	89.9	Confident	46 Å²	46	33.7 Å²	33.7	25%	0.246	20%	0.203	C	C	.	.			trans	-70.7	162.5	173	76.6	55	0	0	0	111.7	S452 E453 A454	D450-S452 VanDerWaalsContact C-N 3.3Å; D450-S452 PolarHBondContact O-N 3Å; D450-S452 WeakPolarHBondContact OD1-CA 3.35Å; D450-S452 WeakPolarHBondContact OD1-CB 3.49Å; D450-S452 PolarHBondContact OD1-N 3.29Å; D450-E453 PolarHBondContact O-N 3.04Å; D450-E453 PolarHBondContact OD1-N 3.48Å; D450-E453 WeakPolarHBondContact OD2-CG 3.42Å; D450-A454 VanDerWaalsContact O-CB 3.31Å; D450-A454 WeakPolarHBondContact O-CB 3.49Å; D450-A454 PolarHBondContact O-N 2.81Å
451	A	84.4	Confident	90.1	Very high	37 Å²	37	32.3 Å²	32.3	31%	0.306	19%	0.193	S	C	.	.	H	α-helix	trans	-61.7	-34.2	-175.6	0	0	0	0	0	113.5	M386 A455	M386-A451 HydrophobicContact CB-CB 4.08Å; A451-A455 WeakPolarHBondContact O-CB 2.97Å; A451-A455 PolarHBondContact O-N 2.82Å
452	S	89.5	Confident	90.1	Very high	10 Å²	10	30.8 Å²	30.8	7%	0.07	18%	0.18	C	C	.	.	H	α-helix	trans	-73.2	-43.6	-179.9	-59.2	0	0	0	0	110.9	D450 A454 A455 L456 M591	D450-S452 VanDerWaalsContact C-N 3.3Å; D450-S452 PolarHBondContact O-N 3Å; D450-S452 WeakPolarHBondContact OD1-CA 3.35Å; D450-S452 WeakPolarHBondContact OD1-CB 3.49Å; D450-S452 PolarHBondContact OD1-N 3.29Å; S452-A454 VanDerWaalsContact C-N 3.35Å; S452-A455 WeakPolarHBondContact O-CB 3.2Å; S452-A455 PolarHBondContact O-N 3.04Å; S452-L456 WeakPolarHBondContact O-CG 3.48Å; S452-L456 PolarHBondContact O-N 3.14Å; S452-L456 VanDerWaalsContact O-N 3.1Å; S452-M591 VanDerWaalsContact CA-SD 3.54Å; S452-M591 VanDerWaalsContact CB-SD 3.59Å
453	E	91.1	Very high	90	Very high	10 Å²	10	30.1 Å²	30.1	5%	0.047	18%	0.179	C	C	.	.	H	α-helix	trans	-64.1	-39.2	174.4	-74.3	-153	137.7	0	0	112.5	N429 R430 A431 D450 L456 L457 Q489 K508	N429-E453 WeakPolarHBondContact CA-OE1 3.38Å; N429-E453 PolarHBondContact ND2-O 2.59Å; N429-E453 WeakPolarHBondContact OD1-CB 3.25Å; R430-E453 WeakPolarHBondContact CA-OE2 3.3Å; R430-E453 WeakPolarHBondContact CB-OE2 3.43Å; R430-E453 PolarHBondContact N-OE1 2.82Å; R430-E453 VanDerWaalsContact N-OE1 3.12Å; R430-E453 PolarHBondContact N-OE2 3.34Å; R430-E453 VanDerWaalsContact N-OE2 3.09Å; A431-E453 HydrophobicContact CB-CB 3.77Å; A431-E453 PolarHBondContact N-OE2 3.29Å; D450-E453 PolarHBondContact O-N 3.04Å; D450-E453 PolarHBondContact OD1-N 3.48Å; D450-E453 WeakPolarHBondContact OD2-CG 3.42Å; E453-L456 PolarHBondContact O-N 2.86Å; E453-L457 WeakPolarHBondContact O-CB 3.34Å; E453-L457 PolarHBondContact O-N 3.15Å; E453-Q489 PolarHBondContact OE1-NE2 2.99Å; E453-Q489 PolarHBondContact OE1-OE1 2.72Å; E453-Q489 VanDerWaalsContact OE1-OE1 3.1Å; E453-K508 IonicContact OE1-NZ 3.91Å; E453-K508 PolarHBondContact OE1-NZ 3.18Å
454	A	92.1	Very high	90	Very high	14 Å²	14	32.3 Å²	32.3	12%	0.116	19%	0.194	C	C	.	.	H	α-helix	trans	-64.5	-40.3	174.5	0	0	0	0	0	112.2	V447 D450 S452 L457 K458	V447-A454 HydrophobicContact CB-CB 3.9Å; V447-A454 HydrophobicContact CG1-CB 3.62Å; V447-A454 HydrophobicContact CG2-CB 4.31Å; D450-A454 VanDerWaalsContact O-CB 3.31Å; D450-A454 WeakPolarHBondContact O-CB 3.49Å; D450-A454 PolarHBondContact O-N 2.81Å; S452-A454 VanDerWaalsContact C-N 3.35Å; A454-L457 PolarHBondContact O-N 3.13Å; A454-K458 WeakPolarHBondContact O-CB 3.31Å; A454-K458 WeakPolarHBondContact O-CG 3.36Å; A454-K458 PolarHBondContact O-N 2.85Å
455	A	93.6	Very high	90.1	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	19%	0.188	C	C	.	.	H	α-helix	trans	-60.5	-47.2	175.3	0	0	0	0	0	111.4	M386 V388 A451 S452 K458 C459 M591	M386-A455 HydrophobicContact CB-CB 4.21Å; M386-A455 HydrophobicContact CG-CB 4.02Å; M386-A455 VanDerWaalsContact O-CB 3.24Å; M386-A455 WeakPolarHBondContact O-CB 3.37Å; V388-A455 HydrophobicContact CG2-CB 4.47Å; A451-A455 WeakPolarHBondContact O-CB 2.97Å; A451-A455 PolarHBondContact O-N 2.82Å; S452-A455 WeakPolarHBondContact O-CB 3.2Å; S452-A455 PolarHBondContact O-N 3.04Å; A455-K458 PolarHBondContact O-N 3.01Å; A455-C459 WeakPolarHBondContact O-CB 3.28Å; A455-C459 PolarHBondContact O-N 3.39Å; A455-M591 HydrophobicContact CB-SD 4.11Å
456	L	96	Very high	90.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62.7	-47	176.6	-66.1	170.3	0	0	0	111.4	V388 A425 S452 E453 K458 C459 I460 K508 L553 F555 M589 M591	V388-L456 HydrophobicContact CG2-CD2 4.06Å; A425-L456 HydrophobicContact CB-CD2 4.33Å; S452-L456 WeakPolarHBondContact O-CG 3.48Å; S452-L456 PolarHBondContact O-N 3.14Å; S452-L456 VanDerWaalsContact O-N 3.1Å; E453-L456 PolarHBondContact O-N 2.86Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.83Å; L456-C459 PolarHBondContact O-N 2.92Å; L456-I460 WeakPolarHBondContact O-CG1 3.47Å; L456-I460 PolarHBondContact O-N 2.96Å; L456-K508 HydrophobicContact CD1-CD 4.38Å; L456-L553 HydrophobicContact CD1-CD1 4.29Å; L456-F555 HydrophobicContact CD1-CE1 4.18Å; L456-F555 HydrophobicContact CD1-CZ 3.86Å; L456-F555 HydrophobicContact CD2-CZ 3.84Å; L456-M589 HydrophobicContact CD2-CB 4.31Å; L456-M589 HydrophobicContact CD2-CG 4.46Å; L456-M589 HydrophobicContact CD2-SD 3.44Å; L456-M589 WeakPolarHBondContact CD2-SD 3.24Å; L456-M591 HydrophobicContact CD1-CE 4.35Å; L456-M591 HydrophobicContact CD2-CE 3.85Å; L456-M591 HydrophobicContact CG-CE 3.89Å
457	L	95.9	Very high	90.7	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.021	17%	0.172	C	C	.	.	H	α-helix	trans	-55.7	-48.7	178.1	176	69	0	0	0	111	A431 F433 V447 E453 A454 I460 E461 V467	A431-L457 HydrophobicContact CB-CB 4.18Å; A431-L457 HydrophobicContact CB-CD2 4Å; F433-L457 HydrophobicContact CD1-CD2 4.34Å; F433-L457 HydrophobicContact CD2-CD2 4.11Å; F433-L457 HydrophobicContact CE1-CD2 4.18Å; F433-L457 HydrophobicContact CE2-CD1 4.28Å; F433-L457 HydrophobicContact CE2-CD2 3.94Å; F433-L457 HydrophobicContact CE2-CG 3.92Å; F433-L457 HydrophobicContact CG-CD2 4.3Å; F433-L457 HydrophobicContact CZ-CD2 3.97Å; F433-L457 HydrophobicContact CZ-CG 3.94Å; V447-L457 HydrophobicContact CG1-CD2 3.86Å; V447-L457 HydrophobicContact CG2-CD2 4.2Å; E453-L457 WeakPolarHBondContact O-CB 3.34Å; E453-L457 PolarHBondContact O-N 3.15Å; A454-L457 PolarHBondContact O-N 3.13Å; L457-I460 PolarHBondContact O-N 3.43Å; L457-E461 VanDerWaalsContact O-CB 3.31Å; L457-E461 WeakPolarHBondContact O-CB 3.29Å; L457-E461 PolarHBondContact O-N 3.49Å; L457-V467 HydrophobicContact CD1-CB 3.78Å; L457-V467 HydrophobicContact CD1-CG1 3.71Å; L457-V467 HydrophobicContact CD1-CG2 3.99Å
458	K	94.9	Very high	90.9	Very high	20 Å²	20	29.5 Å²	29.5	9%	0.087	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-43.3	179.2	-74.4	175.3	173.7	-174.9	0	111.8	F433 I442 L443 R445 A454 A455 L456 E461 L462	F433-K458 HydrophobicContact CE1-CG 4.1Å; F433-K458 HydrophobicContact CZ-CG 4.25Å; I442-K458 HydrophobicContact CG2-CB 4.46Å; I442-K458 HydrophobicContact CG2-CG 4.44Å; L443-K458 HydrophobicContact CD2-CB 4.27Å; L443-K458 PolarHBondContact O-NZ 3.15Å; R445-K458 WeakPolarHBondContact O-CE 3.31Å; R445-K458 PolarHBondContact O-NZ 3.28Å; A454-K458 WeakPolarHBondContact O-CB 3.31Å; A454-K458 WeakPolarHBondContact O-CG 3.36Å; A454-K458 PolarHBondContact O-N 2.85Å; A455-K458 PolarHBondContact O-N 3.01Å; L456-K458 VanDerWaalsContact C-N 3.32Å; L456-K458 PolarHBondContact O-N 2.83Å; K458-E461 PolarHBondContact O-N 2.85Å; K458-L462 WeakPolarHBondContact O-CB 3.35Å; K458-L462 WeakPolarHBondContact O-CD1 3.44Å; K458-L462 WeakPolarHBondContact O-CG 3.41Å; K458-L462 PolarHBondContact O-N 2.89Å
459	C	94.8	Very high	91.3	Very high	13 Å²	13	32 Å²	32	9%	0.088	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-48	177.6	-179.8	0	0	0	0	112.1	V388 A455 L456 L462 C463	V388-C459 HydrophobicContact CB-CB 4.03Å; V388-C459 HydrophobicContact CG2-CB 3.68Å; A455-C459 WeakPolarHBondContact O-CB 3.28Å; A455-C459 PolarHBondContact O-N 3.39Å; L456-C459 PolarHBondContact O-N 2.92Å; C459-L462 PolarHBondContact O-N 3.3Å; C459-C463 WeakPolarHBondContact O-CB 3.23Å; C459-C463 PolarHBondContact O-N 3.43Å; C459-C463 PolarHBondContact O-SG 2.88Å; C459-C463 VanDerWaalsContact O-SG 3.41Å
460	I	95.3	Very high	91.9	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-70	-39.4	-179.4	-55.5	-45.5	0	0	0	111.2	W418 A422 A425 L456 L457 L462 C463 C464 V467 M470 M589	W418-I460 HydrophobicContact CH2-CD1 4.18Å; A422-I460 HydrophobicContact CB-CD1 3.92Å; A425-I460 HydrophobicContact CB-CD1 3.92Å; A425-I460 HydrophobicContact CB-CG1 3.87Å; L456-I460 WeakPolarHBondContact O-CG1 3.47Å; L456-I460 PolarHBondContact O-N 2.96Å; L457-I460 PolarHBondContact O-N 3.43Å; I460-L462 VanDerWaalsContact C-N 3.27Å; I460-L462 PolarHBondContact O-N 3.37Å; I460-C463 PolarHBondContact O-N 3.26Å; I460-C464 HydrophobicContact CG2-CB 3.91Å; I460-C464 WeakPolarHBondContact O-CA 3.34Å; I460-C464 WeakPolarHBondContact O-CB 3.13Å; I460-C464 PolarHBondContact O-N 2.84Å; I460-V467 HydrophobicContact CB-CG2 3.78Å; I460-V467 HydrophobicContact CG2-CG2 3.67Å; I460-M470 HydrophobicContact CG2-CE 3.91Å; I460-M470 HydrophobicContact CG2-SD 4.5Å; I460-M589 HydrophobicContact CD1-CE 4.33Å
461	E	94.3	Very high	92.5	Very high	28 Å²	28	32 Å²	32	13%	0.131	18%	0.184	C	C	.	.	H	α-helix	trans	-59.8	-37.9	175.8	-168.4	76.2	-164.8	0	0	111.9	F433 I442 L457 K458 G465 S466 V467	F433-E461 HydrophobicContact CE2-CB 4.17Å; F433-E461 HydrophobicContact CE2-CG 3.82Å; F433-E461 HydrophobicContact CZ-CB 4.22Å; F433-E461 HydrophobicContact CZ-CG 4.13Å; I442-E461 HydrophobicContact CD1-CG 4.04Å; I442-E461 HydrophobicContact CG1-CG 4.29Å; I442-E461 HydrophobicContact CG2-CB 3.96Å; I442-E461 HydrophobicContact CG2-CG 3.93Å; L457-E461 VanDerWaalsContact O-CB 3.31Å; L457-E461 WeakPolarHBondContact O-CB 3.29Å; L457-E461 PolarHBondContact O-N 3.49Å; K458-E461 PolarHBondContact O-N 2.85Å; E461-G465 WeakPolarHBondContact CA-O 3.38Å; E461-S466 WeakPolarHBondContact OE2-CA 3.36Å; E461-V467 HydrophobicContact CB-CG2 4.29Å; E461-V467 PolarHBondContact OE2-N 2.97Å
462	L	91.6	Very high	92.9	Very high	51 Å²	51	36.1 Å²	36.1	27%	0.267	20%	0.197	S	C	.	.	H	α-helix	trans	-70.6	-44.7	176.1	-82.8	153.9	0	0	0	113	Q406 I442 L443 K458 C459 I460	Q406-L462 HydrophobicContact CG-CD2 4.07Å; I442-L462 HydrophobicContact CB-CD2 4.39Å; I442-L462 HydrophobicContact CB-CG 4.23Å; I442-L462 HydrophobicContact CD1-CD2 3.99Å; I442-L462 HydrophobicContact CD1-CG 4.05Å; I442-L462 HydrophobicContact CG2-CD1 4.38Å; I442-L462 HydrophobicContact CG2-CG 4.05Å; L443-L462 HydrophobicContact CD1-CD1 4.43Å; L443-L462 HydrophobicContact CD2-CD1 3.51Å; L443-L462 HydrophobicContact CG-CD1 3.8Å; K458-L462 WeakPolarHBondContact O-CB 3.35Å; K458-L462 WeakPolarHBondContact O-CD1 3.44Å; K458-L462 WeakPolarHBondContact O-CG 3.41Å; K458-L462 PolarHBondContact O-N 2.89Å; C459-L462 PolarHBondContact O-N 3.3Å; I460-L462 VanDerWaalsContact C-N 3.27Å; I460-L462 PolarHBondContact O-N 3.37Å
463	C	88.9	Confident	93	Very high	24 Å²	24	41.7 Å²	41.7	16%	0.162	22%	0.22	C	C	.	.	H	α-helix	trans	-92.8	-28.6	-167.7	-63.5	0	0	0	0	114	R413 W418 C459 I460	R413-C463 PolarHBondContact NH1-O 3.31Å; W418-C463 HydrophobicContact CZ2-CB 4.08Å; C459-C463 WeakPolarHBondContact O-CB 3.23Å; C459-C463 PolarHBondContact O-N 3.43Å; C459-C463 PolarHBondContact O-SG 2.88Å; C459-C463 VanDerWaalsContact O-SG 3.41Å; I460-C463 PolarHBondContact O-N 3.26Å
464	C	89.3	Confident	93.1	Very high	54 Å²	54	42 Å²	42	37%	0.365	22%	0.22	S	C	.	.	H	α-helix	trans	-123.9	1.5	-167.8	-59.1	0	0	0	0	114.2	A422 I460 M470	A422-C464 VanDerWaalsContact CB-SG 3.58Å; I460-C464 HydrophobicContact CG2-CB 3.91Å; I460-C464 WeakPolarHBondContact O-CA 3.34Å; I460-C464 WeakPolarHBondContact O-CB 3.13Å; I460-C464 PolarHBondContact O-N 2.84Å; C464-M470 HydrophobicContact CB-CE 4.29Å
465	G	91.1	Very high	93.2	Very high	38 Å²	38	44.4 Å²	44.4	39%	0.392	24%	0.235	S	C	.	.	S	Bend	trans	84.4	-162.7	-175	0	0	0	0	0	112.7	E461 V467	E461-G465 WeakPolarHBondContact CA-O 3.38Å; G465-V467 PolarHBondContact O-N 3.17Å
466	S	93.8	Very high	93.3	Very high	41 Å²	41	48.4 Å²	48.4	29%	0.287	25%	0.252	S	S	.	.			trans	-66.7	120.7	-168.1	-165	0	0	0	0	113.4	E461 K468 D469 M470	E461-S466 WeakPolarHBondContact OE2-CA 3.36Å; S466-K468 PolarHBondContact O-N 2.84Å; S466-K468 PolarHBondContact OG-N 2.83Å; S466-D469 PolarHBondContact O-N 3.23Å; S466-M470 PolarHBondContact O-N 3.45Å
467	V	93.9	Very high	93.2	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	27%	0.27	C	S	.	.	H	α-helix	trans	-68.1	-27.1	174.6	179	0	0	0	0	111	L457 I460 E461 G465 M470 R471	L457-V467 HydrophobicContact CD1-CB 3.78Å; L457-V467 HydrophobicContact CD1-CG1 3.71Å; L457-V467 HydrophobicContact CD1-CG2 3.99Å; I460-V467 HydrophobicContact CB-CG2 3.78Å; I460-V467 HydrophobicContact CG2-CG2 3.67Å; E461-V467 HydrophobicContact CB-CG2 4.29Å; E461-V467 PolarHBondContact OE2-N 2.97Å; G465-V467 PolarHBondContact O-N 3.17Å; V467-M470 WeakPolarHBondContact O-CB 3.38Å; V467-M470 PolarHBondContact O-N 3.33Å; V467-R471 HydrophobicContact CG1-CG 4.27Å; V467-R471 WeakPolarHBondContact O-CG 3.45Å; V467-R471 PolarHBondContact O-N 3.46Å
468	K	92.1	Very high	93	Very high	137 Å²	137	51.6 Å²	51.6	60%	0.596	27%	0.273	S	S	*	.	H	α-helix	trans	-62.4	-51.2	175.7	-172.5	-177.1	173.7	-169	0	110.8	S466 M470 R471 E472	S466-K468 PolarHBondContact O-N 2.84Å; S466-K468 PolarHBondContact OG-N 2.83Å; K468-M470 VanDerWaalsContact C-N 3.27Å; K468-M470 PolarHBondContact O-N 3.05Å; K468-R471 PolarHBondContact O-N 3.09Å; K468-R471 VanDerWaalsContact O-N 3.13Å; K468-E472 WeakPolarHBondContact CE-OE1 3.43Å; K468-E472 WeakPolarHBondContact O-CG 3.47Å; K468-E472 PolarHBondContact O-N 3.2Å
469	D	93	Very high	93	Very high	100 Å²	100	53.9 Å²	53.9	54%	0.535	28%	0.284	S	S	.	.	H	α-helix	trans	-62.3	-37.5	177.8	-59	-14.3	0	0	0	111.1	S466 E472 K473	S466-D469 PolarHBondContact O-N 3.23Å; D469-E472 PolarHBondContact O-N 3.31Å; D469-K473 WeakPolarHBondContact O-CB 3.41Å; D469-K473 PolarHBondContact O-N 3.33Å
470	M	93.1	Very high	92.8	Very high	35 Å²	35	54 Å²	54	17%	0.172	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-45.2	173.8	-174.2	-173.9	-67.3	0	0	111.9	L427 I460 C464 S466 V467 K468 K473 Y474	L427-M470 HydrophobicContact CD2-CG 4.33Å; I460-M470 HydrophobicContact CG2-CE 3.91Å; I460-M470 HydrophobicContact CG2-SD 4.5Å; C464-M470 HydrophobicContact CB-CE 4.29Å; S466-M470 PolarHBondContact O-N 3.45Å; V467-M470 WeakPolarHBondContact O-CB 3.38Å; V467-M470 PolarHBondContact O-N 3.33Å; K468-M470 VanDerWaalsContact C-N 3.27Å; K468-M470 PolarHBondContact O-N 3.05Å; M470-K473 PolarHBondContact O-N 2.89Å; M470-Y474 WeakPolarHBondContact O-CD2 3.39Å; M470-Y474 PolarHBondContact O-N 3.39Å
471	R	94.1	Very high	92.4	Very high	54 Å²	54	56.9 Å²	56.9	20%	0.204	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-32.9	178.5	-72.7	175.8	-178.2	171.8	6.5	112.7	G426 L427 N429 A431 V467 K468 Y474	G426-R471 PolarHBondContact O-NE 2.87Å; G426-R471 PolarHBondContact O-NH2 2.91Å; L427-R471 HydrophobicContact CD2-CG 4.1Å; N429-R471 PolarHBondContact O-NH2 2.84Å; N429-R471 VanDerWaalsContact O-NH2 3.16Å; A431-R471 PolarHBondContact O-NH1 3.12Å; A431-R471 PolarHBondContact O-NH2 3.44Å; V467-R471 HydrophobicContact CG1-CG 4.27Å; V467-R471 WeakPolarHBondContact O-CG 3.45Å; V467-R471 PolarHBondContact O-N 3.46Å; K468-R471 PolarHBondContact O-N 3.09Å; K468-R471 VanDerWaalsContact O-N 3.13Å; R471-Y474 CarbonylContact O-C 3.57Å; R471-Y474 VanDerWaalsContact O-C 3.25Å; R471-Y474 PolarHBondContact O-N 2.62Å; R471-Y474 VanDerWaalsContact O-O 3.1Å
472	E	92.9	Very high	92.1	Very high	122 Å²	122	60.6 Å²	60.6	57%	0.57	32%	0.318	S	S	*	.	H	α-helix	trans	-68.5	-36.3	173.5	-72.7	179.4	-171.2	0	0	111.8	K468 D469 Y474	K468-E472 WeakPolarHBondContact CE-OE1 3.43Å; K468-E472 WeakPolarHBondContact O-CG 3.47Å; K468-E472 PolarHBondContact O-N 3.2Å; D469-E472 PolarHBondContact O-N 3.31Å; E472-Y474 VanDerWaalsContact C-N 3.31Å; E472-Y474 PolarHBondContact O-N 3.3Å
473	K	91.9	Very high	91.3	Very high	127 Å²	127	61.9 Å²	61.9	55%	0.552	33%	0.325	S	S	*	.	H	α-helix	trans	-66.6	-29.6	174.4	-176.1	176.1	177.4	-179.5	0	113.3	D469 M470 P475	D469-K473 WeakPolarHBondContact O-CB 3.41Å; D469-K473 PolarHBondContact O-N 3.33Å; M470-K473 PolarHBondContact O-N 2.89Å; K473-P475 VanDerWaalsContact C-CD 3.48Å; K473-P475 WeakPolarHBondContact O-CD 3.24Å
474	Y	93.2	Very high	90.5	Very high	16 Å²	16	65.2 Å²	65.2	6%	0.063	35%	0.349	C	S	.	.	S	Bend	trans	-119.7	76.7	178.3	-67.5	-87.6	0	0	0	111.2	R423 L427 M470 R471 E472 K476 H493 K494 N495	R423-Y474 HydrophobicContact CG-CE2 4.43Å; R423-Y474 PolarHBondContact NH1-OH 3.07Å; R423-Y474 VanDerWaalsContact NH1-OH 3.13Å; L427-Y474 HydrophobicContact CD1-CD1 4.39Å; L427-Y474 HydrophobicContact CD1-CD2 4.22Å; L427-Y474 HydrophobicContact CD1-CG 3.91Å; L427-Y474 HydrophobicContact CD2-CD2 4.39Å; L427-Y474 HydrophobicContact CD2-CG 4.38Å; M470-Y474 WeakPolarHBondContact O-CD2 3.39Å; M470-Y474 PolarHBondContact O-N 3.39Å; R471-Y474 CarbonylContact O-C 3.57Å; R471-Y474 VanDerWaalsContact O-C 3.25Å; R471-Y474 PolarHBondContact O-N 2.62Å; R471-Y474 VanDerWaalsContact O-O 3.1Å; E472-Y474 VanDerWaalsContact C-N 3.31Å; E472-Y474 PolarHBondContact O-N 3.3Å; Y474-K476 PolarHBondContact O-N 3.31Å; Y474-H493 PolarHBondContact O-ND1 3.2Å; Y474-K494 WeakPolarHBondContact CA-O 3.36Å; Y474-K494 WeakPolarHBondContact CD1-O 3.34Å; Y474-N495 HydrophobicContact CD1-CB 4.4Å; Y474-N495 HydrophobicContact CE1-CB 4.19Å; Y474-N495 WeakPolarHBondContact CE1-OD1 3.44Å
475	P	93.9	Very high	89.9	Confident	65 Å²	65	68.3 Å²	68.3	42%	0.422	37%	0.366	S	S	.	.			trans	-56.3	126.9	-178.4	-24.7	33.3	0	0	0	111.8	K473 H493 K494	K473-P475 VanDerWaalsContact C-CD 3.48Å; K473-P475 WeakPolarHBondContact O-CD 3.24Å; P475-H493 CarbonylContact O-C 3.54Å; P475-H493 VanDerWaalsContact O-CA 3.3Å; P475-H493 WeakPolarHBondContact O-CA 3.4Å; P475-K494 PolarHBondContact O-N 3.34Å
476	K	94.8	Very high	89.5	Confident	87 Å²	87	69.3 Å²	69.3	38%	0.378	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	128	176.5	-175.8	-175.7	-72.9	-178.4	0	110	Y474 E479	Y474-K476 PolarHBondContact O-N 3.31Å; K476-E479 HydrophobicContact CD-CB 4.1Å; K476-E479 HydrophobicContact CD-CG 4.32Å; K476-E479 VanDerWaalsContact CD-OE2 3.3Å; K476-E479 WeakPolarHBondContact CD-OE2 3.38Å; K476-E479 WeakPolarHBondContact CE-OE2 3.46Å; K476-E479 IonicContact NZ-OE2 2.77Å; K476-E479 PolarHBondContact NZ-OE2 3.12Å
477	V	93.6	Very high	89.3	Confident	60 Å²	60	71.4 Å²	71.4	36%	0.364	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	-32.5	178.4	-73.9	0	0	0	0	113.2	I492 K494 F571	V477-I492 HydrophobicContact CG2-CB 3.88Å; V477-I492 HydrophobicContact CG2-CG2 3.6Å; V477-I492 WeakPolarHBondContact CG2-O 3.3Å; V477-I492 PolarHBondContact N-O 3.13Å; V477-K494 HydrophobicContact CG1-CD 4.23Å; V477-K494 HydrophobicContact CG1-CG 3.72Å; V477-F571 HydrophobicContact CG2-CD2 4Å; V477-F571 HydrophobicContact CG2-CE2 4.05Å
478	A	93	Very high	89.3	Confident	11 Å²	11	71.9 Å²	71.9	9%	0.091	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	152.3	175.7	0	0	0	0	0	110.4	S491 I492 F571 T573	A478-S491 CarbonylContact O-C 3.56Å; A478-S491 VanDerWaalsContact O-CA 3.31Å; A478-S491 WeakPolarHBondContact O-CA 3.36Å; A478-S491 WeakPolarHBondContact O-CB 3.39Å; A478-I492 HydrophobicContact CB-CB 4.44Å; A478-I492 HydrophobicContact CB-CD1 4.47Å; A478-I492 PolarHBondContact N-O 3.3Å; A478-I492 PolarHBondContact O-N 2.9Å; A478-F571 HydrophobicContact CB-CB 3.7Å; A478-F571 HydrophobicContact CB-CG 4.4Å; A478-T573 HydrophobicContact CB-CG2 4.04Å
479	E	93.6	Very high	89.4	Confident	68 Å²	68	66 Å²	66	32%	0.318	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.9	172.5	60.7	175.5	-150.7	0	0	112.2	K476 L490 T573	K476-E479 HydrophobicContact CD-CB 4.1Å; K476-E479 HydrophobicContact CD-CG 4.32Å; K476-E479 VanDerWaalsContact CD-OE2 3.3Å; K476-E479 WeakPolarHBondContact CD-OE2 3.38Å; K476-E479 WeakPolarHBondContact CE-OE2 3.46Å; K476-E479 IonicContact NZ-OE2 2.77Å; K476-E479 PolarHBondContact NZ-OE2 3.12Å; E479-L490 CarbonylContact C-O 3.39Å; E479-L490 WeakPolarHBondContact CA-O 3.36Å; E479-T573 WeakPolarHBondContact O-CG2 3.22Å
480	I	91.7	Very high	89.5	Confident	16 Å²	16	61.2 Å²	61.2	8%	0.082	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	108	163	-60.9	-178.8	0	0	0	106	L490 T573 V576 F578	I480-L490 HydrophobicContact CB-CB 4.37Å; I480-L490 HydrophobicContact CB-CD2 4.27Å; I480-L490 HydrophobicContact CD1-CD2 4.07Å; I480-L490 HydrophobicContact CG1-CD2 3.97Å; I480-L490 PolarHBondContact N-O 2.95Å; I480-L490 PolarHBondContact O-N 2.78Å; I480-T573 HydrophobicContact CG1-CG2 4.2Å; I480-V576 HydrophobicContact CD1-CG2 4.19Å; I480-F578 HydrophobicContact CD1-CE2 4.26Å; I480-F578 HydrophobicContact CD1-CZ 3.89Å; I480-F578 HydrophobicContact CG1-CZ 4.43Å
481	P	87.6	Confident	89.6	Confident	60 Å²	60	59.6 Å²	59.6	39%	0.39	31%	0.31	S	S	.	.			trans	-64.4	158.4	178.3	28.1	-34.1	0	0	0	110.5	N483	P481-N483 PolarHBondContact O-N 2.92Å
482	F	86	Confident	89.7	Confident	106 Å²	106	57 Å²	57	47%	0.465	30%	0.3	S	S	.	.			trans	-57.3	129.2	176.6	-176.2	-92.2	0	0	0	110.9	Q489	F482-Q489 HydrophobicContact CB-CB 4.15Å
483	N	76.3	Confident	89.8	Confident	77 Å²	77	51.4 Å²	51.4	41%	0.412	27%	0.273	S	S	.	.			trans	-130.6	138.5	173.5	-173.9	-4.2	0	0	0	110	P481 T485 N486 K487	P481-N483 PolarHBondContact O-N 2.92Å; N483-T485 PolarHBondContact O-N 3.27Å; N483-T485 VanDerWaalsContact O-N 3.17Å; N483-T485 PolarHBondContact OD1-N 3.18Å; N483-N486 PolarHBondContact O-N 3.17Å; N483-N486 VanDerWaalsContact O-N 3.11Å; N483-K487 PolarHBondContact O-N 3.38Å
484	S	72.1	Confident	89.8	Confident	95 Å²	95	48.8 Å²	48.8	66%	0.664	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-32	179.3	-42.8	0	0	0	0	113.7	K487	S484-K487 WeakPolarHBondContact O-CG 3.22Å
485	T	76.8	Confident	89.5	Confident	118 Å²	118	48.6 Å²	48.6	72%	0.724	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-44	178.4	-48.3	0	0	0	0	111.4	N483	N483-T485 PolarHBondContact O-N 3.27Å; N483-T485 VanDerWaalsContact O-N 3.17Å; N483-T485 PolarHBondContact OD1-N 3.18Å
486	N	82.1	Confident	88.5	Confident	60 Å²	60	49.5 Å²	49.5	32%	0.321	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-30.8	-176.1	-68.7	-0.1	0	0	0	112.1	N483 Y488	N483-N486 PolarHBondContact O-N 3.17Å; N483-N486 VanDerWaalsContact O-N 3.11Å; N486-Y488 HydrophobicContact CB-CD1 3.99Å; N486-Y488 HydrophobicContact CB-CE1 3.72Å; N486-Y488 WeakPolarHBondContact O-CD1 3.48Å; N486-Y488 PolarHBondContact O-N 3.37Å
487	K	89.5	Confident	87.7	Confident	84 Å²	84	47.1 Å²	47.1	37%	0.365	27%	0.268	S	S	.	.			trans	58.5	18.5	-177.4	-60.1	-172.5	173.1	-166.9	0	115.4	N483 S484 G509 A510 R513	N483-K487 PolarHBondContact O-N 3.38Å; S484-K487 WeakPolarHBondContact O-CG 3.22Å; K487-G509 WeakPolarHBondContact O-CA 3.47Å; K487-A510 HydrophobicContact CB-CB 4.44Å; K487-A510 PolarHBondContact O-N 3.37Å; K487-A510 VanDerWaalsContact O-N 3.14Å; K487-R513 HydrophobicContact CB-CG 4.13Å; K487-R513 HydrophobicContact CD-CG 4.24Å
488	Y	93.1	Very high	86.7	Confident	12 Å²	12	50.4 Å²	50.4	5%	0.047	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	162.1	171.7	66.8	-99.9	0	0	0	110.4	N486 L490 M507 K508	N486-Y488 HydrophobicContact CB-CD1 3.99Å; N486-Y488 HydrophobicContact CB-CE1 3.72Å; N486-Y488 WeakPolarHBondContact O-CD1 3.48Å; N486-Y488 PolarHBondContact O-N 3.37Å; Y488-L490 HydrophobicContact CD2-CB 4.22Å; Y488-L490 HydrophobicContact CE2-CB 4.24Å; Y488-M507 HydrophobicContact CD1-SD 4.45Å; Y488-M507 HydrophobicContact CD2-CE 3.9Å; Y488-M507 HydrophobicContact CD2-CG 4Å; Y488-M507 HydrophobicContact CD2-SD 3.86Å; Y488-M507 HydrophobicContact CE2-CE 3.96Å; Y488-M507 HydrophobicContact CE2-SD 4.46Å; Y488-M507 HydrophobicContact CG-CE 4.41Å; Y488-M507 HydrophobicContact CG-CG 4.25Å; Y488-M507 HydrophobicContact CG-SD 3.87Å; Y488-K508 CarbonylContact C-O 3.58Å; Y488-K508 VanDerWaalsContact CA-O 3.3Å; Y488-K508 WeakPolarHBondContact CA-O 3.42Å
489	Q	94.4	Very high	85.6	Confident	12 Å²	12	54.1 Å²	54.1	6%	0.056	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140.1	168.9	177.7	179.1	-10.5	0	0	107.6	C428 E453 F482 M507 K508	C428-Q489 PolarHBondContact SG-O 3.01Å; E453-Q489 PolarHBondContact OE1-NE2 2.99Å; E453-Q489 PolarHBondContact OE1-OE1 2.72Å; E453-Q489 VanDerWaalsContact OE1-OE1 3.1Å; F482-Q489 HydrophobicContact CB-CB 4.15Å; Q489-M507 VanDerWaalsContact O-CA 3.29Å; Q489-M507 WeakPolarHBondContact O-CA 3.19Å; Q489-M507 WeakPolarHBondContact O-CG 3.27Å; Q489-K508 HydrophobicContact CB-CG 4.3Å; Q489-K508 PolarHBondContact N-O 3.32Å; Q489-K508 PolarHBondContact O-N 3.04Å
490	L	94.9	Very high	85	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.9	-177.6	164.4	148.8	0	0	0	110.3	E479 I480 Y488 I492 L505 V506 M507 F578 T580	E479-L490 CarbonylContact C-O 3.39Å; E479-L490 WeakPolarHBondContact CA-O 3.36Å; I480-L490 HydrophobicContact CB-CB 4.37Å; I480-L490 HydrophobicContact CB-CD2 4.27Å; I480-L490 HydrophobicContact CD1-CD2 4.07Å; I480-L490 HydrophobicContact CG1-CD2 3.97Å; I480-L490 PolarHBondContact N-O 2.95Å; I480-L490 PolarHBondContact O-N 2.78Å; Y488-L490 HydrophobicContact CD2-CB 4.22Å; Y488-L490 HydrophobicContact CE2-CB 4.24Å; L490-I492 HydrophobicContact CD2-CG1 4.39Å; L490-L505 HydrophobicContact CD1-CD1 3.83Å; L490-L505 HydrophobicContact CD1-CD2 3.72Å; L490-L505 HydrophobicContact CD1-CG 3.77Å; L490-L505 HydrophobicContact CG-CD2 4.43Å; L490-L505 HydrophobicContact CG-CG 4.29Å; L490-V506 WeakPolarHBondContact CA-O 3.4Å; L490-M507 HydrophobicContact CB-CB 4.36Å; L490-M507 HydrophobicContact CB-CE 4.25Å; L490-M507 HydrophobicContact CB-CG 4.3Å; L490-M507 HydrophobicContact CD1-CE 3.45Å; L490-M507 VanDerWaalsContact CD1-CE 3.45Å; L490-M507 HydrophobicContact CG-CE 4.46Å; L490-F578 HydrophobicContact CD1-CE2 4Å; L490-F578 HydrophobicContact CD2-CE2 3.59Å; L490-F578 HydrophobicContact CD2-CZ 3.86Å; L490-F578 HydrophobicContact CG-CE2 4.49Å; L490-T580 HydrophobicContact CD1-CG2 4.35Å
491	S	95.7	Very high	84.6	Confident	2 Å²	2	55.3 Å²	55.3	1%	0.014	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	150.6	166.9	53.1	0	0	0	0	111.9	A478 H493 V506	A478-S491 CarbonylContact O-C 3.56Å; A478-S491 VanDerWaalsContact O-CA 3.31Å; A478-S491 WeakPolarHBondContact O-CA 3.36Å; A478-S491 WeakPolarHBondContact O-CB 3.39Å; S491-H493 WeakPolarHBondContact CB-NE2 3.32Å; S491-H493 PolarHBondContact OG-NE2 3.44Å; S491-V506 PolarHBondContact N-O 3.43Å; S491-V506 VanDerWaalsContact O-CG2 3.29Å; S491-V506 WeakPolarHBondContact O-CG2 3.4Å; S491-V506 PolarHBondContact O-N 3.03Å; S491-V506 WeakPolarHBondContact OG-CG2 3.37Å
492	I	95.8	Very high	84.5	Confident	0 Å²	0	57 Å²	57	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	134	177.4	-57.4	172.1	0	0	0	107.7	V477 A478 L490 H503 L504 L505 L560 F571 F578	V477-I492 HydrophobicContact CG2-CB 3.88Å; V477-I492 HydrophobicContact CG2-CG2 3.6Å; V477-I492 WeakPolarHBondContact CG2-O 3.3Å; V477-I492 PolarHBondContact N-O 3.13Å; A478-I492 HydrophobicContact CB-CB 4.44Å; A478-I492 HydrophobicContact CB-CD1 4.47Å; A478-I492 PolarHBondContact N-O 3.3Å; A478-I492 PolarHBondContact O-N 2.9Å; L490-I492 HydrophobicContact CD2-CG1 4.39Å; I492-H503 HydrophobicContact CG2-CB 4.33Å; I492-L504 WeakPolarHBondContact CA-O 3.41Å; I492-L505 HydrophobicContact CG1-CB 4.28Å; I492-L505 HydrophobicContact CG1-CD1 4.38Å; I492-L505 HydrophobicContact CG1-CG 4.23Å; I492-L560 HydrophobicContact CD1-CD1 4.36Å; I492-L560 HydrophobicContact CG2-CD1 4.04Å; I492-F571 HydrophobicContact CD1-CB 4.39Å; I492-F571 HydrophobicContact CD1-CD1 3.47Å; I492-F571 VanDerWaalsContact CD1-CD1 3.47Å; I492-F571 HydrophobicContact CD1-CD2 4.47Å; I492-F571 HydrophobicContact CD1-CE1 3.76Å; I492-F571 HydrophobicContact CD1-CG 3.86Å; I492-F571 HydrophobicContact CD1-CZ 4.38Å; I492-F571 HydrophobicContact CG2-CD2 4.4Å; I492-F571 HydrophobicContact CG2-CE1 4.38Å; I492-F571 HydrophobicContact CG2-CE2 3.99Å; I492-F571 HydrophobicContact CG2-CZ 3.98Å; I492-F578 HydrophobicContact CD1-CB 4.4Å; I492-F578 HydrophobicContact CD1-CD1 3.8Å; I492-F578 HydrophobicContact CD1-CD2 3.92Å; I492-F578 HydrophobicContact CD1-CE1 3.95Å; I492-F578 HydrophobicContact CD1-CE2 4.07Å; I492-F578 HydrophobicContact CD1-CG 3.77Å; I492-F578 HydrophobicContact CD1-CZ 4.07Å
493	H	95.1	Very high	84.8	Confident	3 Å²	3	52 Å²	52	1%	0.014	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	147.4	-175.9	-62.1	-103.4	0	0	0	110.9	Y474 P475 S491 H503 L504	Y474-H493 PolarHBondContact O-ND1 3.2Å; P475-H493 CarbonylContact O-C 3.54Å; P475-H493 VanDerWaalsContact O-CA 3.3Å; P475-H493 WeakPolarHBondContact O-CA 3.4Å; S491-H493 WeakPolarHBondContact CB-NE2 3.32Å; S491-H493 PolarHBondContact OG-NE2 3.44Å; H493-H503 WeakPolarHBondContact O-CA 3.24Å; H493-L504 PolarHBondContact N-O 3.47Å; H493-L504 PolarHBondContact O-N 3.39Å
494	K	92.4	Very high	85.7	Confident	73 Å²	73	48.4 Å²	48.4	32%	0.317	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	136	167.5	-68.1	-165.6	177	-152.9	0	110	Y474 P475 V477 K502 D567	Y474-K494 WeakPolarHBondContact CA-O 3.36Å; Y474-K494 WeakPolarHBondContact CD1-O 3.34Å; P475-K494 PolarHBondContact O-N 3.34Å; V477-K494 HydrophobicContact CG1-CD 4.23Å; V477-K494 HydrophobicContact CG1-CG 3.72Å; K494-K502 WeakPolarHBondContact CA-O 3.33Å; K494-D567 IonicContact NZ-OD1 2.75Å; K494-D567 PolarHBondContact NZ-OD1 2.94Å
495	N	87.4	Confident	86.9	Confident	12 Å²	12	43.9 Å²	43.9	6%	0.064	27%	0.266	C	S	.	.			trans	-112.3	114.6	175.5	-174.5	7	0	0	0	109	Y474 T497 E500 T501 K502	Y474-N495 HydrophobicContact CD1-CB 4.4Å; Y474-N495 HydrophobicContact CE1-CB 4.19Å; Y474-N495 WeakPolarHBondContact CE1-OD1 3.44Å; N495-T497 VanDerWaalsContact C-N 3.32Å; N495-T497 WeakPolarHBondContact OD1-CB 3.33Å; N495-T497 PolarHBondContact OD1-N 3.03Å; N495-T497 VanDerWaalsContact OD1-N 3.09Å; N495-T497 PolarHBondContact OD1-OG1 3.14Å; N495-E500 WeakPolarHBondContact ND2-CB 3.36Å; N495-E500 PolarHBondContact ND2-OE2 3.12Å; N495-T501 WeakPolarHBondContact CB-O 3.4Å; N495-T501 PolarHBondContact ND2-O 3.46Å; N495-K502 PolarHBondContact N-O 2.78Å
496	A	73.1	Confident	87.8	Confident	83 Å²	83	38.3 Å²	38.3	69%	0.686	23%	0.231	S	C	*	.			trans	-92	8.9	179.1	0	0	0	0	0	112.9	P498	A496-P498 WeakPolarHBondContact O-CD 3.46Å
497	T	78.4	Confident	88.6	Confident	37 Å²	37	35.4 Å²	35.4	23%	0.227	22%	0.216	C	C	.	.			trans	-74.6	121.2	-177.1	-50.5	0	0	0	0	110.2	N495 G499 E500	N495-T497 VanDerWaalsContact C-N 3.32Å; N495-T497 WeakPolarHBondContact OD1-CB 3.33Å; N495-T497 PolarHBondContact OD1-N 3.03Å; N495-T497 VanDerWaalsContact OD1-N 3.09Å; N495-T497 PolarHBondContact OD1-OG1 3.14Å; T497-G499 PolarHBondContact O-N 3.38Å; T497-E500 HydrophobicContact CG2-CG 4.28Å; T497-E500 PolarHBondContact O-N 2.9Å
498	P	71.6	Confident	88.9	Confident	129 Å²	129	32 Å²	32	84%	0.838	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	124.9	-178.3	-20.8	31.4	0	0	0	111.8	A496	A496-P498 WeakPolarHBondContact O-CD 3.46Å
499	G	70.9	Confident	89	Confident	89 Å²	89	31.5 Å²	31.5	92%	0.918	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.9	-3.7	177.7	0	0	0	0	0	115.5	T497	T497-G499 PolarHBondContact O-N 3.38Å
500	E	79.8	Confident	88.9	Confident	78 Å²	78	31.9 Å²	31.9	36%	0.364	21%	0.205	S	C	.	.	S	Bend	trans	-98.6	164.9	168.4	-66.4	-175.5	-175	0	0	110.9	R423 N495 T497	R423-E500 IonicContact NH1-OE2 3.69Å; N495-E500 WeakPolarHBondContact ND2-CB 3.36Å; N495-E500 PolarHBondContact ND2-OE2 3.12Å; T497-E500 HydrophobicContact CG2-CG 4.28Å; T497-E500 PolarHBondContact O-N 2.9Å
501	T	83.3	Confident	88.8	Confident	31 Å²	31	32.1 Å²	32.1	19%	0.19	21%	0.206	C	C	.	.			trans	-59.8	146.9	174.2	58.8	0	0	0	0	111.3	N495 H503 H559 L560	N495-T501 WeakPolarHBondContact CB-O 3.4Å; N495-T501 PolarHBondContact ND2-O 3.46Å; T501-H503 VanDerWaalsContact C-N 3.29Å; T501-H503 PolarHBondContact O-N 2.96Å; T501-H503 PolarHBondContact OG1-O 2.93Å; T501-H559 HydrophobicContact CG2-CB 3.97Å; T501-H559 WeakPolarHBondContact OG1-CB 3.46Å; T501-H559 PolarHBondContact OG1-ND1 3.11Å; T501-H559 VanDerWaalsContact OG1-ND1 3.08Å; T501-L560 VanDerWaalsContact CB-O 3.27Å; T501-L560 WeakPolarHBondContact CB-O 3.1Å; T501-L560 WeakPolarHBondContact CG2-O 3.42Å
502	K	86.3	Confident	88.6	Confident	96 Å²	96	35.1 Å²	35.1	42%	0.417	22%	0.22	S	C	.	.	S	Bend	trans	-69.2	-25.7	-176.1	-64.7	-174.7	-176	-178.7	0	113.7	K494 N495 D562 D567	K494-K502 WeakPolarHBondContact CA-O 3.33Å; N495-K502 PolarHBondContact N-O 2.78Å; K502-D562 WeakPolarHBondContact CB-OD1 3.33Å; K502-D562 PolarHBondContact N-OD1 2.75Å; K502-D567 HydrophobicContact CD-CB 3.98Å
503	H	92.9	Very high	88.5	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.009	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.8	179	-61.3	101.1	0	0	0	110.8	I492 H493 T501 L560 F565 P566 F571	I492-H503 HydrophobicContact CG2-CB 4.33Å; H493-H503 WeakPolarHBondContact O-CA 3.24Å; T501-H503 VanDerWaalsContact C-N 3.29Å; T501-H503 PolarHBondContact O-N 2.96Å; T501-H503 PolarHBondContact OG1-O 2.93Å; H503-L560 HydrophobicContact CB-CB 4Å; H503-L560 HydrophobicContact CB-CD1 3.9Å; H503-L560 PolarHBondContact O-N 2.85Å; H503-L560 VanDerWaalsContact O-N 3.1Å; H503-F565 PolarHBondContact CE1-O 2.72Å; H503-F565 PolarHBondContact ND1-O 2.9Å; H503-P566 PolarHBondContact CE1-O 3.29Å; H503-P566 VanDerWaalsContact CE1-O 3.31Å; H503-F571 HydrophobicContact CB-CZ 4.39Å; H503-F571 AromaticContact CD2-CE2 3.73Å; H503-F571 AromaticContact CD2-CZ 3.98Å; H503-F571 AromaticContact CG-CZ 4Å; H503-F571 AromaticContact NE2-CE2 3.91Å
504	L	94.8	Very high	88.5	Confident	1 Å²	1	40.5 Å²	40.5	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	119.9	175	176.6	65.3	0	0	0	108.8	I492 H493 V506 H557	I492-L504 WeakPolarHBondContact CA-O 3.41Å; H493-L504 PolarHBondContact N-O 3.47Å; H493-L504 PolarHBondContact O-N 3.39Å; L504-V506 HydrophobicContact CD2-CG1 4.09Å; L504-V506 HydrophobicContact CG-CG1 4.01Å; L504-H557 HydrophobicContact CD1-CB 4.17Å
505	L	96.1	Very high	88.6	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132	170.9	-179.7	159.9	0	0	0	108.6	L490 I492 H557 F558 L560 F578 P579 L583	L490-L505 HydrophobicContact CD1-CD1 3.83Å; L490-L505 HydrophobicContact CD1-CD2 3.72Å; L490-L505 HydrophobicContact CD1-CG 3.77Å; L490-L505 HydrophobicContact CG-CD2 4.43Å; L490-L505 HydrophobicContact CG-CG 4.29Å; I492-L505 HydrophobicContact CG1-CB 4.28Å; I492-L505 HydrophobicContact CG1-CD1 4.38Å; I492-L505 HydrophobicContact CG1-CG 4.23Å; L505-H557 CarbonylContact O-C 3.58Å; L505-H557 WeakPolarHBondContact O-CA 3.3Å; L505-H557 WeakPolarHBondContact O-CB 3.33Å; L505-F558 HydrophobicContact CB-CB 4.37Å; L505-F558 HydrophobicContact CD2-CB 4.29Å; L505-F558 PolarHBondContact N-O 3.01Å; L505-F558 PolarHBondContact O-N 2.79Å; L505-L560 HydrophobicContact CB-CD1 4.32Å; L505-L560 HydrophobicContact CB-CG 4.32Å; L505-F578 HydrophobicContact CD1-CD2 3.96Å; L505-P579 VanDerWaalsContact CD1-O 3.26Å; L505-P579 WeakPolarHBondContact CD1-O 3.4Å; L505-L583 HydrophobicContact CD2-CD1 4.4Å; L505-L583 HydrophobicContact CD2-CD2 4.1Å
506	V	97.3	Very high	88.9	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	141.7	176.2	-67.4	0	0	0	0	109.7	I424 L427 C428 L490 S491 L504 H557	I424-V506 HydrophobicContact CB-CG1 4.48Å; I424-V506 HydrophobicContact CG1-CB 4.4Å; I424-V506 HydrophobicContact CG1-CG1 3.93Å; I424-V506 HydrophobicContact CG2-CB 4.09Å; I424-V506 HydrophobicContact CG2-CG1 4.48Å; L427-V506 HydrophobicContact CB-CG2 4.28Å; C428-V506 HydrophobicContact CB-CB 4.21Å; C428-V506 HydrophobicContact CB-CG2 3.72Å; L490-V506 WeakPolarHBondContact CA-O 3.4Å; S491-V506 PolarHBondContact N-O 3.43Å; S491-V506 VanDerWaalsContact O-CG2 3.29Å; S491-V506 WeakPolarHBondContact O-CG2 3.4Å; S491-V506 PolarHBondContact O-N 3.03Å; S491-V506 WeakPolarHBondContact OG-CG2 3.37Å; L504-V506 HydrophobicContact CD2-CG1 4.09Å; L504-V506 HydrophobicContact CG-CG1 4.01Å; V506-H557 HydrophobicContact CG1-CB 4.23Å
507	M	96.9	Very high	89.9	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	142	-179.2	-177.7	-170.8	-64.7	0	0	110.8	Y488 Q489 L490 I514 C556 L583	Y488-M507 HydrophobicContact CD1-SD 4.45Å; Y488-M507 HydrophobicContact CD2-CE 3.9Å; Y488-M507 HydrophobicContact CD2-CG 4Å; Y488-M507 HydrophobicContact CD2-SD 3.86Å; Y488-M507 HydrophobicContact CE2-CE 3.96Å; Y488-M507 HydrophobicContact CE2-SD 4.46Å; Y488-M507 HydrophobicContact CG-CE 4.41Å; Y488-M507 HydrophobicContact CG-CG 4.25Å; Y488-M507 HydrophobicContact CG-SD 3.87Å; Q489-M507 VanDerWaalsContact O-CA 3.29Å; Q489-M507 WeakPolarHBondContact O-CA 3.19Å; Q489-M507 WeakPolarHBondContact O-CG 3.27Å; L490-M507 HydrophobicContact CB-CB 4.36Å; L490-M507 HydrophobicContact CB-CE 4.25Å; L490-M507 HydrophobicContact CB-CG 4.3Å; L490-M507 HydrophobicContact CD1-CE 3.45Å; L490-M507 VanDerWaalsContact CD1-CE 3.45Å; L490-M507 HydrophobicContact CG-CE 4.46Å; M507-I514 HydrophobicContact CG-CD1 3.74Å; M507-I514 HydrophobicContact SD-CD1 3.67Å; M507-C556 PolarHBondContact N-O 3.15Å; M507-C556 PolarHBondContact O-N 2.83Å; M507-C556 VanDerWaalsContact O-O 3.1Å; M507-L583 HydrophobicContact CE-CD1 3.58Å; M507-L583 HydrophobicContact SD-CD1 3.89Å
508	K	96.6	Very high	90.7	Very high	11 Å²	11	41.1 Å²	41.1	5%	0.048	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.4	170.3	76.3	-178.5	-176.8	-162	0	111	C428 E453 L456 Y488 Q489 G554 F555	C428-K508 VanDerWaalsContact O-CD 3.28Å; C428-K508 WeakPolarHBondContact O-CD 3.18Å; C428-K508 WeakPolarHBondContact O-CE 3.45Å; C428-K508 PolarHBondContact O-NZ 3.05Å; E453-K508 IonicContact OE1-NZ 3.91Å; E453-K508 PolarHBondContact OE1-NZ 3.18Å; L456-K508 HydrophobicContact CD1-CD 4.38Å; Y488-K508 CarbonylContact C-O 3.58Å; Y488-K508 VanDerWaalsContact CA-O 3.3Å; Y488-K508 WeakPolarHBondContact CA-O 3.42Å; Q489-K508 HydrophobicContact CB-CG 4.3Å; Q489-K508 PolarHBondContact N-O 3.32Å; Q489-K508 PolarHBondContact O-N 3.04Å; K508-G554 WeakPolarHBondContact CA-O 3.36Å; K508-F555 HydrophobicContact CB-CD1 3.64Å; K508-F555 HydrophobicContact CB-CE1 3.65Å; K508-F555 HydrophobicContact CB-CG 4.39Å; K508-F555 HydrophobicContact CB-CZ 4.39Å; K508-F555 HydrophobicContact CD-CE1 3.92Å; K508-F555 HydrophobicContact CG-CE1 4.41Å
509	G	94.5	Very high	91.8	Very high	2 Å²	2	37.2 Å²	37.2	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	178.3	-163.8	-179.8	0	0	0	0	0	113.9	K487 G554	K487-G509 WeakPolarHBondContact O-CA 3.47Å; G509-G554 PolarHBondContact N-O 3.19Å; G509-G554 VanDerWaalsContact N-O 3.07Å; G509-G554 PolarHBondContact O-N 2.73Å
510	A	92.9	Very high	93	Very high	21 Å²	21	34.5 Å²	34.5	17%	0.174	17%	0.172	C	C	.	.			trans	-58.8	131.8	173.7	0	0	0	0	0	110.1	K487 E512 R513 I514	K487-A510 HydrophobicContact CB-CB 4.44Å; K487-A510 PolarHBondContact O-N 3.37Å; K487-A510 VanDerWaalsContact O-N 3.14Å; A510-E512 VanDerWaalsContact C-N 3.32Å; A510-E512 WeakPolarHBondContact CB-OE1 3.29Å; A510-E512 PolarHBondContact O-N 2.92Å; A510-R513 HydrophobicContact CB-CB 4.22Å; A510-R513 HydrophobicContact CB-CG 4.07Å; A510-R513 PolarHBondContact O-N 3.24Å; A510-I514 WeakPolarHBondContact O-CG1 3.29Å; A510-I514 PolarHBondContact O-N 2.86Å
511	P	93.5	Very high	93.8	Very high	4 Å²	4	31 Å²	31	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-49.9	-48.7	-172.2	-30.4	36.9	0	0	0	113.7	R513 I514 L515 F538 Y542 V552 L588	P511-R513 VanDerWaalsContact C-N 3.31Å; P511-R513 PolarHBondContact O-N 2.98Å; P511-I514 PolarHBondContact O-N 2.96Å; P511-L515 PolarHBondContact O-N 3.46Å; P511-F538 HydrophobicContact CB-CZ 3.82Å; P511-Y542 HydrophobicContact CB-CD2 4.07Å; P511-Y542 HydrophobicContact CB-CE2 4.11Å; P511-Y542 HydrophobicContact CB-CG 4.43Å; P511-Y542 HydrophobicContact CG-CD2 4Å; P511-Y542 HydrophobicContact CG-CE2 3.78Å; P511-V552 WeakPolarHBondContact CD-O 3.35Å; P511-V552 HydrophobicContact CG-CB 3.94Å; P511-V552 HydrophobicContact CG-CG1 3.9Å; P511-V552 WeakPolarHBondContact CG-O 3.34Å; P511-L588 HydrophobicContact CB-CD2 3.98Å; P511-L588 HydrophobicContact CG-CD2 4.3Å
512	E	91.9	Very high	94.3	Very high	66 Å²	66	29.9 Å²	29.9	31%	0.308	15%	0.149	S	C	.	.	H	α-helix	trans	-63.6	-36.5	-179.6	70.4	-73.9	176.5	0	0	112.4	A510 D516	A510-E512 VanDerWaalsContact C-N 3.32Å; A510-E512 WeakPolarHBondContact CB-OE1 3.29Å; A510-E512 PolarHBondContact O-N 2.92Å; E512-D516 VanDerWaalsContact O-CG 3.23Å; E512-D516 PolarHBondContact O-N 2.81Å; E512-D516 VanDerWaalsContact O-N 3.12Å
513	R	93.4	Very high	94.5	Very high	116 Å²	116	26.5 Å²	26.5	44%	0.438	14%	0.135	S	C	.	.	H	α-helix	trans	-74.8	-30.3	-179.7	-65.8	-62.5	-177	171.1	0.1	113.2	K487 A510 P511 R517	K487-R513 HydrophobicContact CB-CG 4.13Å; K487-R513 HydrophobicContact CD-CG 4.24Å; A510-R513 HydrophobicContact CB-CB 4.22Å; A510-R513 HydrophobicContact CB-CG 4.07Å; A510-R513 PolarHBondContact O-N 3.24Å; P511-R513 VanDerWaalsContact C-N 3.31Å; P511-R513 PolarHBondContact O-N 2.98Å; R513-R517 WeakPolarHBondContact O-CG 3.48Å
514	I	95.1	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-75.4	-42.3	175.4	-63.1	-59.5	0	0	0	109.7	M507 A510 P511 D516 R517 C518 C556 F585	M507-I514 HydrophobicContact CG-CD1 3.74Å; M507-I514 HydrophobicContact SD-CD1 3.67Å; A510-I514 WeakPolarHBondContact O-CG1 3.29Å; A510-I514 PolarHBondContact O-N 2.86Å; P511-I514 PolarHBondContact O-N 2.96Å; I514-D516 PolarHBondContact O-N 3.27Å; I514-R517 PolarHBondContact O-N 2.86Å; I514-R517 VanDerWaalsContact O-N 3.14Å; I514-C518 PolarHBondContact O-N 3.03Å; I514-C518 PolarHBondContact O-SG 3.4Å; I514-C556 HydrophobicContact CG2-CB 3.91Å; I514-F585 HydrophobicContact CG2-CD2 3.94Å; I514-F585 HydrophobicContact CG2-CE2 3.94Å
515	L	93.5	Very high	93.9	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.11	19%	0.186	C	C	.	.	H	α-helix	trans	-59.5	-45.7	177.4	-166.1	76.4	0	0	0	111.9	P511 R517 C518 L530 K535 F538 F585	P511-L515 PolarHBondContact O-N 3.46Å; L515-R517 PolarHBondContact O-N 2.83Å; L515-C518 PolarHBondContact O-N 3.16Å; L515-L530 HydrophobicContact CD1-CD1 4.37Å; L515-L530 HydrophobicContact CD1-CD2 3.88Å; L515-L530 HydrophobicContact CG-CD2 4.32Å; L515-K535 HydrophobicContact CD2-CG 4.47Å; L515-F538 HydrophobicContact CB-CE1 4.21Å; L515-F538 HydrophobicContact CB-CZ 4.09Å; L515-F538 HydrophobicContact CD1-CD1 4.11Å; L515-F538 HydrophobicContact CD1-CD2 3.97Å; L515-F538 HydrophobicContact CD1-CE1 4.29Å; L515-F538 HydrophobicContact CD1-CE2 4.09Å; L515-F538 HydrophobicContact CD1-CG 3.97Å; L515-F538 HydrophobicContact CD1-CZ 4.25Å; L515-F538 HydrophobicContact CD2-CD1 3.6Å; L515-F538 HydrophobicContact CD2-CE1 3.68Å; L515-F538 HydrophobicContact CD2-CG 4.26Å; L515-F538 HydrophobicContact CD2-CZ 4.33Å; L515-F538 HydrophobicContact CG-CD1 4.37Å; L515-F538 HydrophobicContact CG-CE1 4.28Å; L515-F538 HydrophobicContact CG-CZ 4.46Å; L515-F585 HydrophobicContact CD1-CD2 4.49Å
516	D	93.4	Very high	93.6	Very high	122 Å²	122	42.3 Å²	42.3	65%	0.652	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-21.9	177.9	-73.9	-16.7	0	0	0	113.8	E512 I514	E512-D516 VanDerWaalsContact O-CG 3.23Å; E512-D516 PolarHBondContact O-N 2.81Å; E512-D516 VanDerWaalsContact O-N 3.12Å; I514-D516 PolarHBondContact O-N 3.27Å
517	R	94.8	Very high	93.3	Very high	59 Å²	59	47.6 Å²	47.6	22%	0.223	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	-3.3	-178.2	-67.4	179.3	175.4	-72.3	-8.5	113.4	R513 I514 L515 T580 E581 N582 L583	R513-R517 WeakPolarHBondContact O-CG 3.48Å; I514-R517 PolarHBondContact O-N 2.86Å; I514-R517 VanDerWaalsContact O-N 3.14Å; L515-R517 PolarHBondContact O-N 2.83Å; R517-T580 PolarHBondContact NH1-O 3.41Å; R517-T580 VanDerWaalsContact NH1-O 3.09Å; R517-E581 CarbonylContact O-C 3.54Å; R517-N582 PolarHBondContact O-N 3.17Å; R517-L583 PolarHBondContact O-N 3.29Å
518	C	95.9	Very high	93.1	Very high	15 Å²	15	51.9 Å²	51.9	10%	0.101	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	143.9	-177	-64	0	0	0	0	111.7	I514 L515 C556 L583 F585	I514-C518 PolarHBondContact O-N 3.03Å; I514-C518 PolarHBondContact O-SG 3.4Å; L515-C518 PolarHBondContact O-N 3.16Å; C518-C556 VanDerWaalsContact SG-CB 3.54Å; C518-L583 CarbonylContact C-O 3.58Å; C518-L583 VanDerWaalsContact CA-O 3.23Å; C518-L583 WeakPolarHBondContact CA-O 3.25Å; C518-F585 HydrophobicContact CB-CB 3.87Å
519	S	94.9	Very high	93	Very high	47 Å²	47	56.1 Å²	56.1	33%	0.329	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	-21.9	176	68.2	0	0	0	0	113.2	L530 N582 L583	S519-L530 WeakPolarHBondContact O-CB 3.18Å; S519-L530 PolarHBondContact O-N 2.86Å; S519-N582 WeakPolarHBondContact OG-CA 3.23Å; S519-N582 PolarHBondContact OG-O 3.39Å; S519-L583 PolarHBondContact N-O 3.27Å
520	T	96.1	Very high	92.9	Very high	32 Å²	32	57 Å²	57	20%	0.196	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	163.5	175.7	58.8	0	0	0	0	110.6	Q528 L583 C584 F585	T520-Q528 CarbonylContact C-O 3.25Å; T520-Q528 WeakPolarHBondContact CA-O 3.42Å; T520-Q528 VanDerWaalsContact CB-O 3.23Å; T520-Q528 WeakPolarHBondContact CB-O 3.3Å; T520-L583 PolarHBondContact N-O 3.01Å; T520-C584 CarbonylContact O-C 3.47Å; T520-C584 WeakPolarHBondContact O-CA 3.01Å; T520-C584 WeakPolarHBondContact OG1-CA 3.33Å; T520-C584 WeakPolarHBondContact OG1-CB 3.24Å; T520-C584 PolarHBondContact OG1-SG 2.82Å; T520-F585 PolarHBondContact O-N 3.46Å
521	I	95.5	Very high	92.9	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.4	174.7	-174.5	166.4	0	0	0	110	W392 E527 Q528 L530 F585	W392-I521 HydrophobicContact CH2-CD1 4.09Å; W392-I521 HydrophobicContact CZ3-CD1 4.14Å; I521-E527 WeakPolarHBondContact O-CA 3.33Å; I521-Q528 PolarHBondContact N-O 2.84Å; I521-Q528 PolarHBondContact O-N 3.4Å; I521-L530 HydrophobicContact CB-CD1 4.13Å; I521-L530 HydrophobicContact CD1-CD1 4.47Å; I521-L530 HydrophobicContact CG2-CD1 4.28Å; I521-F585 VanDerWaalsContact CA-O 3.29Å; I521-F585 WeakPolarHBondContact CA-O 3.44Å; I521-F585 HydrophobicContact CB-CB 4.36Å; I521-F585 HydrophobicContact CD1-CD1 3.84Å; I521-F585 HydrophobicContact CG1-CB 4.33Å; I521-F585 HydrophobicContact CG1-CD1 4.06Å
522	V	93.2	Very high	92.7	Very high	8 Å²	8	64.9 Å²	64.9	5%	0.048	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	124.3	172.4	-180	0	0	0	0	110.5	T417 K526 E527 C584 F585 I586	T417-V522 HydrophobicContact CG2-CB 4.29Å; T417-V522 HydrophobicContact CG2-CG1 4.07Å; V522-K526 WeakPolarHBondContact CA-O 3.47Å; V522-E527 HydrophobicContact CG2-CG 4.06Å; V522-C584 VanDerWaalsContact CG2-SG 3.54Å; V522-F585 PolarHBondContact N-O 2.99Å; V522-I586 HydrophobicContact CB-CD1 3.78Å; V522-I586 HydrophobicContact CG2-CD1 3.27Å
523	L	91.2	Very high	92.7	Very high	25 Å²	25	69 Å²	69	13%	0.131	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	119.3	170.4	-67.4	174	0	0	0	109.4	G525 K526 M534	L523-G525 PolarHBondContact O-N 3.02Å; L523-G525 VanDerWaalsContact O-N 3.17Å; L523-K526 PolarHBondContact N-O 3.41Å; L523-K526 PolarHBondContact O-N 2.94Å; L523-M534 HydrophobicContact CD1-SD 4.15Å
524	H	89.4	Confident	92.6	Very high	138 Å²	138	64.5 Å²	64.5	64%	0.639	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.1	41.3	-176.4	-55.7	-55.4	0	0	0	113.5	D394 T417	D394-H524 PolarHBondContact OD1-N 2.88Å; D394-H524 IonicContact OD1-ND1 3.54Å; D394-H524 IonicContact OD2-CE1 3.91Å; D394-H524 IonicContact OD2-CG 2.91Å; D394-H524 IonicContact OD2-ND1 2.67Å; D394-H524 PolarHBondContact OD2-ND1 3.22Å; T417-H524 PolarHBondContact OG1-N 3.19Å
525	G	85.1	Confident	92.4	Very high	42 Å²	42	68.2 Å²	68.2	43%	0.433	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	4.8	-179.4	0	0	0	0	0	116.5	T417 L523	T417-G525 PolarHBondContact OG1-N 3.04Å; L523-G525 PolarHBondContact O-N 3.02Å; L523-G525 VanDerWaalsContact O-N 3.17Å
526	K	90.4	Very high	92.3	Very high	155 Å²	155	72.3 Å²	72.3	67%	0.674	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.4	134.1	173.7	-67	-176.5	-179.5	178	0	111.1	V522 L523	V522-K526 WeakPolarHBondContact CA-O 3.47Å; L523-K526 PolarHBondContact N-O 3.41Å; L523-K526 PolarHBondContact O-N 2.94Å
527	E	91.9	Very high	92.3	Very high	112 Å²	112	67.5 Å²	67.5	52%	0.523	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	132.4	172.7	-66	-172	-155.2	0	0	111.1	I521 V522	I521-E527 WeakPolarHBondContact O-CA 3.33Å; V522-E527 HydrophobicContact CG2-CG 4.06Å
528	Q	92.8	Very high	92.3	Very high	90 Å²	90	64.8 Å²	64.8	42%	0.421	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	151.5	174.6	-62.8	-170.3	24.3	0	0	109.7	T520 I521	T520-Q528 CarbonylContact C-O 3.25Å; T520-Q528 WeakPolarHBondContact CA-O 3.42Å; T520-Q528 VanDerWaalsContact CB-O 3.23Å; T520-Q528 WeakPolarHBondContact CB-O 3.3Å; I521-Q528 PolarHBondContact N-O 2.84Å; I521-Q528 PolarHBondContact O-N 3.4Å
529	P	93.8	Very high	92.1	Very high	99 Å²	99	68.2 Å²	68.2	64%	0.643	36%	0.357	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.1	142.7	173.9	26.9	-33.5	0	0	0	110.7	D531	P529-D531 PolarHBondContact O-N 3.43Å
530	L	92.4	Very high	92	Very high	21 Å²	21	71.2 Å²	71.2	11%	0.11	37%	0.37	C	S	.	.			trans	-77.6	90.6	177.3	-172	75	0	0	0	109.7	L515 S519 I521 M534 K535	L515-L530 HydrophobicContact CD1-CD1 4.37Å; L515-L530 HydrophobicContact CD1-CD2 3.88Å; L515-L530 HydrophobicContact CG-CD2 4.32Å; S519-L530 WeakPolarHBondContact O-CB 3.18Å; S519-L530 PolarHBondContact O-N 2.86Å; I521-L530 HydrophobicContact CB-CD1 4.13Å; I521-L530 HydrophobicContact CD1-CD1 4.47Å; I521-L530 HydrophobicContact CG2-CD1 4.28Å; L530-M534 HydrophobicContact CD1-CB 4.32Å; L530-K535 HydrophobicContact CD2-CG 4.18Å; L530-K535 HydrophobicContact CG-CG 4.08Å
531	D	91.8	Very high	91.9	Very high	74 Å²	74	70 Å²	70	40%	0.396	36%	0.362	S	S	.	.			trans	-80.3	171.3	177	64	12.1	0	0	0	112.8	P529 E533 M534 K535	P529-D531 PolarHBondContact O-N 3.43Å; D531-E533 VanDerWaalsContact C-N 3.3Å; D531-E533 PolarHBondContact O-N 3.33Å; D531-M534 PolarHBondContact O-N 2.85Å; D531-M534 VanDerWaalsContact OD1-CB 3.26Å; D531-M534 WeakPolarHBondContact OD1-CB 3.49Å; D531-M534 WeakPolarHBondContact OD1-CG 3.33Å; D531-M534 PolarHBondContact OD1-N 2.86Å; D531-K535 WeakPolarHBondContact O-CG 3.42Å; D531-K535 PolarHBondContact O-N 2.75Å; D531-K535 VanDerWaalsContact O-N 3.13Å
532	D	90.6	Very high	91.8	Very high	116 Å²	116	73.1 Å²	73.1	62%	0.62	38%	0.375	S	S	*	.	H	α-helix	trans	-70	-28.3	-176.9	-64.6	-30	0	0	0	112	K535 D536	D532-K535 PolarHBondContact O-N 3.27Å; D532-K535 IonicContact OD1-NZ 3.76Å; D532-K535 PolarHBondContact OD1-NZ 3.15Å; D532-D536 PolarHBondContact O-N 3.41Å
533	E	91.9	Very high	91.6	Very high	153 Å²	153	77.1 Å²	77.1	72%	0.715	40%	0.399	S	S	*	.	H	α-helix	trans	-63.8	-42.1	173.9	-171.7	174.8	175	0	0	111.4	D531 D536 A537	D531-E533 VanDerWaalsContact C-N 3.3Å; D531-E533 PolarHBondContact O-N 3.33Å; E533-D536 PolarHBondContact O-N 2.9Å; E533-A537 PolarHBondContact O-N 2.59Å
534	M	90.5	Very high	91.6	Very high	21 Å²	21	81.3 Å²	81.3	10%	0.103	42%	0.418	C	S	.	.	H	α-helix	trans	-72.7	-30.2	175.7	-69	-75.9	69.2	0	0	114	N395 L523 L530 D531 A537 F538	N395-M534 HydrophobicContact CB-CE 4.21Å; L523-M534 HydrophobicContact CD1-SD 4.15Å; L530-M534 HydrophobicContact CD1-CB 4.32Å; D531-M534 PolarHBondContact O-N 2.85Å; D531-M534 VanDerWaalsContact OD1-CB 3.26Å; D531-M534 WeakPolarHBondContact OD1-CB 3.49Å; D531-M534 WeakPolarHBondContact OD1-CG 3.33Å; D531-M534 PolarHBondContact OD1-N 2.86Å; M534-A537 HydrophobicContact CE-CB 3.54Å; M534-F538 VanDerWaalsContact O-CB 3.27Å; M534-F538 WeakPolarHBondContact O-CB 3.34Å; M534-F538 PolarHBondContact O-N 3.46Å
535	K	90.9	Very high	91.8	Very high	78 Å²	78	74.8 Å²	74.8	34%	0.339	39%	0.387	S	S	.	.	H	α-helix	trans	-65.7	-41.5	171.1	-69.9	173.9	-167.2	161.3	0	111.7	L515 L530 D531 D532 F538 Q539	L515-K535 HydrophobicContact CD2-CG 4.47Å; L530-K535 HydrophobicContact CD2-CG 4.18Å; L530-K535 HydrophobicContact CG-CG 4.08Å; D531-K535 WeakPolarHBondContact O-CG 3.42Å; D531-K535 PolarHBondContact O-N 2.75Å; D531-K535 VanDerWaalsContact O-N 3.13Å; D532-K535 PolarHBondContact O-N 3.27Å; D532-K535 IonicContact OD1-NZ 3.76Å; D532-K535 PolarHBondContact OD1-NZ 3.15Å; K535-F538 WeakPolarHBondContact O-CB 3.31Å; K535-F538 PolarHBondContact O-N 3.2Å; K535-Q539 WeakPolarHBondContact O-CB 3.35Å; K535-Q539 PolarHBondContact O-N 3.5Å
536	D	92.4	Very high	91.9	Very high	108 Å²	108	74.2 Å²	74.2	58%	0.578	38%	0.381	S	S	*	.	H	α-helix	trans	-65.1	-43.6	176.9	-76.3	-14.8	0	0	0	111.3	D532 E533 Q539 N540	D532-D536 PolarHBondContact O-N 3.41Å; E533-D536 PolarHBondContact O-N 2.9Å; D536-Q539 PolarHBondContact O-N 3.17Å; D536-N540 VanDerWaalsContact O-CG 3.28Å; D536-N540 PolarHBondContact O-N 2.96Å; D536-N540 PolarHBondContact O-ND2 3.15Å
537	A	92.9	Very high	91.6	Very high	20 Å²	20	69.5 Å²	69.5	17%	0.165	38%	0.377	C	S	.	.	H	α-helix	trans	-63.8	-41.8	175.9	0	0	0	0	0	112.7	N395 E533 M534 Q539 N540 A541	N395-A537 WeakPolarHBondContact OD1-CB 3.4Å; E533-A537 PolarHBondContact O-N 2.59Å; M534-A537 HydrophobicContact CE-CB 3.54Å; A537-Q539 VanDerWaalsContact C-N 3.32Å; A537-Q539 PolarHBondContact O-N 2.78Å; A537-N540 PolarHBondContact O-N 2.9Å; A537-A541 PolarHBondContact O-N 3.24Å
538	F	93.8	Very high	91.4	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.009	37%	0.37	C	S	.	.	H	α-helix	trans	-57.3	-46.5	171.4	168	-84.1	0	0	0	111.2	W392 P511 L515 M534 K535 N540 A541 Y542 F585 L588	W392-F538 HydrophobicContact CE3-CD2 4.36Å; W392-F538 HydrophobicContact CH2-CB 3.92Å; W392-F538 HydrophobicContact CH2-CD2 4.42Å; W392-F538 HydrophobicContact CZ2-CB 4.49Å; W392-F538 HydrophobicContact CZ3-CB 4.24Å; W392-F538 AromaticContact CZ3-CD2 3.88Å; W392-F538 HydrophobicContact CZ3-CD2 3.88Å; P511-F538 HydrophobicContact CB-CZ 3.82Å; L515-F538 HydrophobicContact CB-CE1 4.21Å; L515-F538 HydrophobicContact CB-CZ 4.09Å; L515-F538 HydrophobicContact CD1-CD1 4.11Å; L515-F538 HydrophobicContact CD1-CD2 3.97Å; L515-F538 HydrophobicContact CD1-CE1 4.29Å; L515-F538 HydrophobicContact CD1-CE2 4.09Å; L515-F538 HydrophobicContact CD1-CG 3.97Å; L515-F538 HydrophobicContact CD1-CZ 4.25Å; L515-F538 HydrophobicContact CD2-CD1 3.6Å; L515-F538 HydrophobicContact CD2-CE1 3.68Å; L515-F538 HydrophobicContact CD2-CG 4.26Å; L515-F538 HydrophobicContact CD2-CZ 4.33Å; L515-F538 HydrophobicContact CG-CD1 4.37Å; L515-F538 HydrophobicContact CG-CE1 4.28Å; L515-F538 HydrophobicContact CG-CZ 4.46Å; M534-F538 VanDerWaalsContact O-CB 3.27Å; M534-F538 WeakPolarHBondContact O-CB 3.34Å; M534-F538 PolarHBondContact O-N 3.46Å; K535-F538 WeakPolarHBondContact O-CB 3.31Å; K535-F538 PolarHBondContact O-N 3.2Å; F538-N540 VanDerWaalsContact C-N 3.34Å; F538-N540 PolarHBondContact O-N 2.61Å; F538-A541 PolarHBondContact O-N 2.9Å; F538-Y542 WeakPolarHBondContact O-CB 3.32Å; F538-Y542 PolarHBondContact O-N 2.65Å; F538-F585 HydrophobicContact CD2-CE1 4.19Å; F538-F585 HydrophobicContact CD2-CE2 4.42Å; F538-F585 AromaticContact CD2-CZ 3.87Å; F538-F585 HydrophobicContact CD2-CZ 3.87Å; F538-F585 HydrophobicContact CE2-CE1 4.27Å; F538-F585 AromaticContact CE2-CE2 3.81Å; F538-F585 HydrophobicContact CE2-CE2 3.81Å; F538-F585 AromaticContact CE2-CZ 3.49Å; F538-F585 HydrophobicContact CE2-CZ 3.49Å; F538-F585 VanDerWaalsContact CE2-CZ 3.49Å; F538-L588 HydrophobicContact CD2-CD1 4.14Å; F538-L588 HydrophobicContact CD2-CD2 4.41Å; F538-L588 HydrophobicContact CD2-CG 4.35Å; F538-L588 HydrophobicContact CE2-CD1 3.93Å; F538-L588 HydrophobicContact CE2-CD2 3.5Å; F538-L588 HydrophobicContact CE2-CG 3.91Å; F538-L588 HydrophobicContact CZ-CD2 4.02Å
539	Q	92.6	Very high	91.1	Very high	87 Å²	87	64 Å²	64	41%	0.407	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-39.9	-177.3	-168.6	66.3	7	0	0	111.2	K535 D536 A537 Y542 V543	K535-Q539 WeakPolarHBondContact O-CB 3.35Å; K535-Q539 PolarHBondContact O-N 3.5Å; D536-Q539 PolarHBondContact O-N 3.17Å; A537-Q539 VanDerWaalsContact C-N 3.32Å; A537-Q539 PolarHBondContact O-N 2.78Å; Q539-Y542 PolarHBondContact O-N 3.46Å; Q539-V543 VanDerWaalsContact O-CG2 3.29Å; Q539-V543 WeakPolarHBondContact O-CG2 3.41Å; Q539-V543 PolarHBondContact O-N 2.81Å
540	N	93.1	Very high	91	Very high	111 Å²	111	60.2 Å²	60.2	59%	0.594	33%	0.33	S	S	*	.	H	α-helix	trans	-61.2	-48.6	174.1	-70.4	-29.8	0	0	0	111.5	D536 A537 F538 Y542 V543 E544	D536-N540 VanDerWaalsContact O-CG 3.28Å; D536-N540 PolarHBondContact O-N 2.96Å; D536-N540 PolarHBondContact O-ND2 3.15Å; A537-N540 PolarHBondContact O-N 2.9Å; F538-N540 VanDerWaalsContact C-N 3.34Å; F538-N540 PolarHBondContact O-N 2.61Å; N540-Y542 VanDerWaalsContact C-N 3.32Å; N540-Y542 PolarHBondContact O-N 3Å; N540-V543 PolarHBondContact O-N 3.08Å; N540-E544 WeakPolarHBondContact O-CB 3.47Å; N540-E544 PolarHBondContact O-N 2.97Å
541	A	93.8	Very high	90.9	Very high	5 Å²	5	64.2 Å²	64.2	4%	0.041	34%	0.344	C	S	.	.	H	α-helix	trans	-62.1	-39.8	177.1	0	0	0	0	0	112	W392 I397 A537 F538 E544 L545	W392-A541 HydrophobicContact CD2-CB 4.24Å; W392-A541 HydrophobicContact CG-CB 3.9Å; I397-A541 HydrophobicContact CD1-CB 4.5Å; A537-A541 PolarHBondContact O-N 3.24Å; F538-A541 PolarHBondContact O-N 2.9Å; A541-E544 PolarHBondContact O-N 3.09Å; A541-L545 WeakPolarHBondContact O-CB 3.37Å; A541-L545 WeakPolarHBondContact O-CG 3.39Å; A541-L545 PolarHBondContact O-N 3.35Å
542	Y	92.6	Very high	91	Very high	71 Å²	71	61.3 Å²	61.3	28%	0.278	33%	0.328	S	S	.	.	H	α-helix	trans	-63.5	-45.4	177	173	-132.6	0	0	0	112.2	P511 F538 Q539 N540 G546 V552	P511-Y542 HydrophobicContact CB-CD2 4.07Å; P511-Y542 HydrophobicContact CB-CE2 4.11Å; P511-Y542 HydrophobicContact CB-CG 4.43Å; P511-Y542 HydrophobicContact CG-CD2 4Å; P511-Y542 HydrophobicContact CG-CE2 3.78Å; F538-Y542 WeakPolarHBondContact O-CB 3.32Å; F538-Y542 PolarHBondContact O-N 2.65Å; Q539-Y542 PolarHBondContact O-N 3.46Å; N540-Y542 VanDerWaalsContact C-N 3.32Å; N540-Y542 PolarHBondContact O-N 3Å; Y542-G546 PolarHBondContact O-N 3.35Å; Y542-V552 HydrophobicContact CD2-CB 4.01Å; Y542-V552 HydrophobicContact CD2-CG1 4.16Å; Y542-V552 HydrophobicContact CD2-CG2 4.1Å; Y542-V552 HydrophobicContact CE2-CB 4.11Å; Y542-V552 HydrophobicContact CE2-CG2 4.31Å
543	V	90.1	Very high	91.3	Very high	91 Å²	91	56.8 Å²	56.8	55%	0.552	30%	0.304	S	S	*	.	H	α-helix	trans	-67	-38.3	177.8	173.3	0	0	0	0	111.2	Q539 N540 G547	Q539-V543 VanDerWaalsContact O-CG2 3.29Å; Q539-V543 WeakPolarHBondContact O-CG2 3.41Å; Q539-V543 PolarHBondContact O-N 2.81Å; N540-V543 PolarHBondContact O-N 3.08Å; V543-G547 PolarHBondContact O-N 3.22Å
544	E	91.8	Very high	91.5	Very high	114 Å²	114	49.5 Å²	49.5	53%	0.533	27%	0.27	S	S	.	.	H	α-helix	trans	-62.8	-52.4	176.5	-176	174.5	178.3	0	0	111.5	I397 N540 A541 G546 G547 L548	I397-E544 HydrophobicContact CD1-CG 4.32Å; I397-E544 WeakPolarHBondContact CD1-OE2 3.24Å; N540-E544 WeakPolarHBondContact O-CB 3.47Å; N540-E544 PolarHBondContact O-N 2.97Å; A541-E544 PolarHBondContact O-N 3.09Å; E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 3.11Å; E544-G547 WeakPolarHBondContact O-CA 3.49Å; E544-G547 PolarHBondContact O-N 3.23Å; E544-G547 VanDerWaalsContact O-N 3.08Å; E544-L548 PolarHBondContact O-N 2.54Å; E544-L548 VanDerWaalsContact O-N 3.08Å
545	L	92.4	Very high	91.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.8	-39.4	178.6	-65.3	174.7	0	0	0	111.9	H390 I397 A541 G547 L548 E550 V552 A590	H390-L545 HydrophobicContact CB-CD2 3.46Å; H390-L545 VanDerWaalsContact CB-CD2 3.46Å; I397-L545 HydrophobicContact CD1-CD2 4.42Å; I397-L545 HydrophobicContact CG2-CD2 4.26Å; A541-L545 WeakPolarHBondContact O-CB 3.37Å; A541-L545 WeakPolarHBondContact O-CG 3.39Å; A541-L545 PolarHBondContact O-N 3.35Å; L545-G547 VanDerWaalsContact C-N 3.32Å; L545-G547 PolarHBondContact O-N 3.24Å; L545-L548 HydrophobicContact CD2-CD1 4.47Å; L545-L548 PolarHBondContact O-N 3.45Å; L545-E550 WeakPolarHBondContact O-CB 3.37Å; L545-E550 PolarHBondContact O-N 3.07Å; L545-V552 HydrophobicContact CB-CG2 3.64Å; L545-V552 HydrophobicContact CD1-CG1 4.39Å; L545-A590 HydrophobicContact CB-CB 4.2Å; L545-A590 HydrophobicContact CD1-CB 4.03Å; L545-A590 HydrophobicContact CD2-CB 4.29Å; L545-A590 HydrophobicContact CG-CB 4.4Å
546	G	86.8	Confident	92.2	Very high	30 Å²	30	44.8 Å²	44.8	31%	0.309	25%	0.249	S	C	.	.	H	α-helix	trans	-65.1	-35.2	172.4	0	0	0	0	0	112.9	Y542 E544 L548 G549	Y542-G546 PolarHBondContact O-N 3.35Å; E544-G546 VanDerWaalsContact C-N 3.34Å; E544-G546 PolarHBondContact O-N 3.11Å; G546-L548 VanDerWaalsContact C-N 3.26Å; G546-L548 PolarHBondContact O-N 3.2Å; G546-G549 PolarHBondContact O-N 2.96Å
547	G	84.9	Confident	92.3	Very high	56 Å²	56	39.9 Å²	39.9	58%	0.577	22%	0.223	S	C	*	.	H	α-helix	trans	-67.1	-25.2	175.4	0	0	0	0	0	113.7	V543 E544 L545 G549	V543-G547 PolarHBondContact O-N 3.22Å; E544-G547 WeakPolarHBondContact O-CA 3.49Å; E544-G547 PolarHBondContact O-N 3.23Å; E544-G547 VanDerWaalsContact O-N 3.08Å; L545-G547 VanDerWaalsContact C-N 3.32Å; L545-G547 PolarHBondContact O-N 3.24Å; G547-G549 PolarHBondContact O-N 2.89Å
548	L	87.8	Confident	92.5	Very high	74 Å²	74	41.7 Å²	41.7	39%	0.387	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	3.9	169.5	-65	172.6	0	0	0	113.1	E544 L545 G546 E550 A626	E544-L548 PolarHBondContact O-N 2.54Å; E544-L548 VanDerWaalsContact O-N 3.08Å; L545-L548 HydrophobicContact CD2-CD1 4.47Å; L545-L548 PolarHBondContact O-N 3.45Å; G546-L548 VanDerWaalsContact C-N 3.26Å; G546-L548 PolarHBondContact O-N 3.2Å; L548-E550 HydrophobicContact CB-CG 3.92Å; L548-E550 PolarHBondContact O-N 2.73Å; L548-A626 WeakPolarHBondContact O-CB 3.47Å
549	G	85.9	Confident	92.4	Very high	12 Å²	12	44 Å²	44	12%	0.124	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	19.3	-179.2	0	0	0	0	0	113.3	G546 G547	G546-G549 PolarHBondContact O-N 2.96Å; G547-G549 PolarHBondContact O-N 2.89Å
550	E	91.5	Very high	92.4	Very high	21 Å²	21	39.9 Å²	39.9	10%	0.098	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-91.7	146.3	-179.1	-51.2	-170.5	163.8	0	0	111.4	A389 H390 L545 L548 A590 I592	A389-E550 VanDerWaalsContact CB-OE1 3.3Å; A389-E550 WeakPolarHBondContact CB-OE1 3.43Å; H390-E550 IonicContact CE1-OE1 2.68Å; H390-E550 PolarHBondContact CE1-OE1 3.45Å; H390-E550 IonicContact CE1-OE2 2.67Å; H390-E550 IonicContact CG-OE2 3.57Å; H390-E550 IonicContact ND1-OE1 3.78Å; H390-E550 PolarHBondContact ND1-OE1 3.11Å; H390-E550 IonicContact ND1-OE2 3.62Å; H390-E550 PolarHBondContact ND1-OE2 2.78Å; L545-E550 WeakPolarHBondContact O-CB 3.37Å; L545-E550 PolarHBondContact O-N 3.07Å; L548-E550 HydrophobicContact CB-CG 3.92Å; L548-E550 PolarHBondContact O-N 2.73Å; E550-A590 HydrophobicContact CB-CB 3.91Å; E550-A590 WeakPolarHBondContact OE2-CB 3.4Å; E550-I592 HydrophobicContact CG-CB 4.18Å; E550-I592 HydrophobicContact CG-CD1 4.23Å
551	R	90.3	Very high	92.3	Very high	105 Å²	105	36.1 Å²	36.1	40%	0.396	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	116.6	171.5	-179.1	179.7	-177.7	150.7	2.4	109.4	E223 A590 M591	E223-R551 IonicContact OE1-CZ 2.93Å; E223-R551 IonicContact OE1-NH1 2.81Å; E223-R551 PolarHBondContact OE1-NH1 2.85Å; R551-A590 CarbonylContact O-C 3.6Å; R551-A590 VanDerWaalsContact O-CA 3.28Å; R551-A590 WeakPolarHBondContact O-CA 3.43Å; R551-M591 HydrophobicContact CB-CG 4.14Å; R551-M591 PolarHBondContact N-O 3.37Å; R551-M591 PolarHBondContact O-N 2.92Å
552	V	94.4	Very high	92.1	Very high	12 Å²	12	38.9 Å²	38.9	7%	0.073	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	136.4	-177.5	-165.5	0	0	0	0	111.2	P511 Y542 L545 L588 A590	P511-V552 WeakPolarHBondContact CD-O 3.35Å; P511-V552 HydrophobicContact CG-CB 3.94Å; P511-V552 HydrophobicContact CG-CG1 3.9Å; P511-V552 WeakPolarHBondContact CG-O 3.34Å; Y542-V552 HydrophobicContact CD2-CB 4.01Å; Y542-V552 HydrophobicContact CD2-CG1 4.16Å; Y542-V552 HydrophobicContact CD2-CG2 4.1Å; Y542-V552 HydrophobicContact CE2-CB 4.11Å; Y542-V552 HydrophobicContact CE2-CG2 4.31Å; L545-V552 HydrophobicContact CB-CG2 3.64Å; L545-V552 HydrophobicContact CD1-CG1 4.39Å; V552-L588 HydrophobicContact CG1-CB 3.93Å; V552-L588 HydrophobicContact CG1-CD1 4.04Å; V552-L588 HydrophobicContact CG1-CD2 3.96Å; V552-L588 HydrophobicContact CG1-CG 4.2Å; V552-A590 HydrophobicContact CG2-CB 4.02Å
553	L	96.1	Very high	92	Very high	21 Å²	21	41.8 Å²	41.8	11%	0.11	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	139.8	172.6	-66.7	177.8	0	0	0	110.5	L456 F555 L588 M589 M591	L456-L553 HydrophobicContact CD1-CD1 4.29Å; L553-F555 HydrophobicContact CB-CE2 3.67Å; L553-F555 HydrophobicContact CB-CZ 4.02Å; L553-F555 HydrophobicContact CD1-CZ 4.39Å; L553-F555 WeakPolarHBondContact O-CD2 3.43Å; L553-F555 WeakPolarHBondContact O-CE2 3.29Å; L553-L588 VanDerWaalsContact O-CA 3.29Å; L553-L588 WeakPolarHBondContact O-CA 3.49Å; L553-M589 PolarHBondContact N-O 3.14Å; L553-M589 PolarHBondContact O-N 2.82Å; L553-M591 HydrophobicContact CD1-CE 3.78Å; L553-M591 HydrophobicContact CG-CE 4.43Å
554	G	97	Very high	91.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	144.5	172.3	0	0	0	0	0	112.4	K508 G509	K508-G554 WeakPolarHBondContact CA-O 3.36Å; G509-G554 PolarHBondContact N-O 3.19Å; G509-G554 VanDerWaalsContact N-O 3.07Å; G509-G554 PolarHBondContact O-N 2.73Å
555	F	97.8	Very high	91.9	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	129.2	-178.4	-64.9	-94.3	0	0	0	110.6	L421 I424 A425 L456 K508 L553 I586 G587 M589	L421-F555 HydrophobicContact CD1-CB 3.51Å; L421-F555 HydrophobicContact CD1-CD2 4.05Å; L421-F555 HydrophobicContact CD1-CG 3.83Å; I424-F555 HydrophobicContact CB-CD1 4.37Å; I424-F555 HydrophobicContact CD1-CB 4.48Å; I424-F555 HydrophobicContact CG2-CB 4.09Å; I424-F555 HydrophobicContact CG2-CD1 3.68Å; I424-F555 HydrophobicContact CG2-CG 4.38Å; A425-F555 HydrophobicContact CB-CE1 4.16Å; L456-F555 HydrophobicContact CD1-CE1 4.18Å; L456-F555 HydrophobicContact CD1-CZ 3.86Å; L456-F555 HydrophobicContact CD2-CZ 3.84Å; K508-F555 HydrophobicContact CB-CD1 3.64Å; K508-F555 HydrophobicContact CB-CE1 3.65Å; K508-F555 HydrophobicContact CB-CG 4.39Å; K508-F555 HydrophobicContact CB-CZ 4.39Å; K508-F555 HydrophobicContact CD-CE1 3.92Å; K508-F555 HydrophobicContact CG-CE1 4.41Å; L553-F555 HydrophobicContact CB-CE2 3.67Å; L553-F555 HydrophobicContact CB-CZ 4.02Å; L553-F555 HydrophobicContact CD1-CZ 4.39Å; L553-F555 WeakPolarHBondContact O-CD2 3.43Å; L553-F555 WeakPolarHBondContact O-CE2 3.29Å; F555-I586 PolarHBondContact O-N 3.43Å; F555-G587 PolarHBondContact N-O 2.98Å; F555-G587 PolarHBondContact O-N 3.17Å; F555-M589 HydrophobicContact CD2-CB 4.4Å; F555-M589 HydrophobicContact CD2-CG 4.03Å; F555-M589 HydrophobicContact CE2-CB 3.63Å; F555-M589 HydrophobicContact CE2-CG 3.59Å; F555-M589 HydrophobicContact CE2-SD 4.37Å; F555-M589 HydrophobicContact CZ-CB 4.29Å; F555-M589 HydrophobicContact CZ-CG 4.19Å; F555-M589 HydrophobicContact CZ-SD 4.39Å
556	C	97.5	Very high	91.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161.1	175.7	68.3	0	0	0	0	111.2	M507 I514 C518 L583 C584	M507-C556 PolarHBondContact N-O 3.15Å; M507-C556 PolarHBondContact O-N 2.83Å; M507-C556 VanDerWaalsContact O-O 3.1Å; I514-C556 HydrophobicContact CG2-CB 3.91Å; C518-C556 VanDerWaalsContact SG-CB 3.54Å; C556-L583 HydrophobicContact CB-CB 4.47Å; C556-C584 CarbonylContact C-O 3.58Å; C556-C584 VanDerWaalsContact CA-O 3.26Å; C556-C584 WeakPolarHBondContact CA-O 3.28Å; C556-C584 WeakPolarHBondContact CB-O 3.45Å
557	H	96.2	Very high	91.5	Very high	6 Å²	6	44.7 Å²	44.7	3%	0.028	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	168.5	173.8	72.7	160	0	0	0	111.1	I424 L504 L505 V506 H559 C584 I586	I424-H557 HydrophobicContact CD1-CB 3.83Å; I424-H557 HydrophobicContact CG1-CB 4.1Å; L504-H557 HydrophobicContact CD1-CB 4.17Å; L505-H557 CarbonylContact O-C 3.58Å; L505-H557 WeakPolarHBondContact O-CA 3.3Å; L505-H557 WeakPolarHBondContact O-CB 3.33Å; V506-H557 HydrophobicContact CG1-CB 4.23Å; H557-H559 AromaticContact CE1-CD2 3.89Å; H557-H559 AromaticContact CE1-NE2 3.56Å; H557-H559 AromaticContact ND1-NE2 3.87Å; H557-C584 PolarHBondContact N-O 2.85Å; H557-C584 WeakPolarHBondContact O-CA 3.19Å; H557-C584 WeakPolarHBondContact O-CB 2.94Å; H557-C584 PolarHBondContact O-N 3.41Å; H557-I586 WeakPolarHBondContact CD2-CD1 3.37Å; H557-I586 VanDerWaalsContact NE2-CD1 3.28Å; H557-I586 WeakPolarHBondContact NE2-CD1 3.49Å
558	F	95.6	Very high	91.4	Very high	57 Å²	57	45 Å²	45	25%	0.25	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	131	172.4	-170.8	-107.8	0	0	0	110.5	L505 L560 P579 L583	L505-F558 HydrophobicContact CB-CB 4.37Å; L505-F558 HydrophobicContact CD2-CB 4.29Å; L505-F558 PolarHBondContact N-O 3.01Å; L505-F558 PolarHBondContact O-N 2.79Å; F558-L560 HydrophobicContact CD1-CD2 3.91Å; F558-L560 HydrophobicContact CD1-CG 4.42Å; F558-L560 HydrophobicContact CE1-CD2 4.16Å; F558-L560 PolarHBondContact O-N 2.78Å; F558-P579 HydrophobicContact CD1-CG 3.98Å; F558-P579 HydrophobicContact CE1-CG 3.79Å; F558-L583 HydrophobicContact CB-CD2 3.6Å; F558-L583 HydrophobicContact CD2-CD2 4.42Å; F558-L583 HydrophobicContact CG-CD2 3.96Å
559	H	92.4	Very high	91.5	Very high	51 Å²	51	44.5 Å²	44.5	24%	0.236	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	107.2	175	-76.9	-82.2	0	0	0	108.8	T501 H557	T501-H559 HydrophobicContact CG2-CB 3.97Å; T501-H559 WeakPolarHBondContact OG1-CB 3.46Å; T501-H559 PolarHBondContact OG1-ND1 3.11Å; T501-H559 VanDerWaalsContact OG1-ND1 3.08Å; H557-H559 AromaticContact CE1-CD2 3.89Å; H557-H559 AromaticContact CE1-NE2 3.56Å; H557-H559 AromaticContact ND1-NE2 3.87Å
560	L	92.6	Very high	91.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.8	-176.5	-73.1	169.7	0	0	0	110.1	I492 T501 H503 L505 F558 D562 F565 F571 P579	I492-L560 HydrophobicContact CD1-CD1 4.36Å; I492-L560 HydrophobicContact CG2-CD1 4.04Å; T501-L560 VanDerWaalsContact CB-O 3.27Å; T501-L560 WeakPolarHBondContact CB-O 3.1Å; T501-L560 WeakPolarHBondContact CG2-O 3.42Å; H503-L560 HydrophobicContact CB-CB 4Å; H503-L560 HydrophobicContact CB-CD1 3.9Å; H503-L560 PolarHBondContact O-N 2.85Å; H503-L560 VanDerWaalsContact O-N 3.1Å; L505-L560 HydrophobicContact CB-CD1 4.32Å; L505-L560 HydrophobicContact CB-CG 4.32Å; F558-L560 HydrophobicContact CD1-CD2 3.91Å; F558-L560 HydrophobicContact CD1-CG 4.42Å; F558-L560 HydrophobicContact CE1-CD2 4.16Å; F558-L560 PolarHBondContact O-N 2.78Å; L560-D562 PolarHBondContact O-N 2.77Å; L560-F565 HydrophobicContact CB-CB 4.32Å; L560-F565 HydrophobicContact CB-CD2 3.9Å; L560-F565 HydrophobicContact CB-CG 4.25Å; L560-F565 HydrophobicContact CD2-CD2 3.92Å; L560-F565 HydrophobicContact CD2-CE2 3.81Å; L560-F565 HydrophobicContact CD2-CG 4.46Å; L560-F565 HydrophobicContact CD2-CZ 4.26Å; L560-F565 HydrophobicContact CG-CD2 4.39Å; L560-F571 HydrophobicContact CD1-CE1 3.83Å; L560-F571 HydrophobicContact CD1-CZ 3.97Å; L560-P579 HydrophobicContact CD2-CG 3.53Å
561	P	91.9	Very high	91.7	Very high	33 Å²	33	48.2 Å²	48.2	21%	0.214	27%	0.269	C	S	.	.			trans	-66.4	126.8	-176	21.1	-28.8	0	0	0	112	D563 Q564 F565	P561-D563 VanDerWaalsContact CB-OD1 3.27Å; P561-D563 WeakPolarHBondContact CB-OD1 3.26Å; P561-D563 PolarHBondContact O-N 3.4Å; P561-Q564 HydrophobicContact CG-CB 4.24Å; P561-Q564 HydrophobicContact CG-CG 4.26Å; P561-Q564 PolarHBondContact O-N 3.38Å; P561-F565 HydrophobicContact CG-CD2 4.26Å; P561-F565 HydrophobicContact CG-CE2 4.35Å; P561-F565 PolarHBondContact O-N 2.86Å
562	D	88.7	Confident	91.7	Very high	62 Å²	62	46.4 Å²	46.4	33%	0.332	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-23.9	-172.8	-73.1	-15.9	0	0	0	113.8	K502 L560 Q564	K502-D562 WeakPolarHBondContact CB-OD1 3.33Å; K502-D562 PolarHBondContact N-OD1 2.75Å; L560-D562 PolarHBondContact O-N 2.77Å; D562-Q564 VanDerWaalsContact C-N 3.34Å
563	D	89.4	Confident	91.4	Very high	132 Å²	132	48.3 Å²	48.3	71%	0.706	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-30.5	174.7	55.5	-56.3	0	0	0	112.5	P561	P561-D563 VanDerWaalsContact CB-OD1 3.27Å; P561-D563 WeakPolarHBondContact CB-OD1 3.26Å; P561-D563 PolarHBondContact O-N 3.4Å
564	Q	88.7	Confident	90.7	Very high	120 Å²	120	54.6 Å²	54.6	56%	0.561	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-33.8	178.7	-62	176.6	24.9	0	0	112.1	P561 D562 P566	P561-Q564 HydrophobicContact CG-CB 4.24Å; P561-Q564 HydrophobicContact CG-CG 4.26Å; P561-Q564 PolarHBondContact O-N 3.38Å; D562-Q564 VanDerWaalsContact C-N 3.34Å; Q564-P566 WeakPolarHBondContact O-CD 3.4Å
565	F	91.3	Very high	90.2	Very high	13 Å²	13	62.2 Å²	62.2	6%	0.057	35%	0.348	C	S	.	.	S	Bend	trans	-123.4	73	-174.6	-57.1	-80.6	0	0	0	111.2	H503 L560 P561 F569 F571 F578	H503-F565 PolarHBondContact CE1-O 2.72Å; H503-F565 PolarHBondContact ND1-O 2.9Å; L560-F565 HydrophobicContact CB-CB 4.32Å; L560-F565 HydrophobicContact CB-CD2 3.9Å; L560-F565 HydrophobicContact CB-CG 4.25Å; L560-F565 HydrophobicContact CD2-CD2 3.92Å; L560-F565 HydrophobicContact CD2-CE2 3.81Å; L560-F565 HydrophobicContact CD2-CG 4.46Å; L560-F565 HydrophobicContact CD2-CZ 4.26Å; L560-F565 HydrophobicContact CG-CD2 4.39Å; P561-F565 HydrophobicContact CG-CD2 4.26Å; P561-F565 HydrophobicContact CG-CE2 4.35Å; P561-F565 PolarHBondContact O-N 2.86Å; F565-F569 AromaticContact CD1-CD1 3.89Å; F565-F569 HydrophobicContact CD1-CD1 3.89Å; F565-F569 HydrophobicContact CD1-CD2 4.42Å; F565-F569 AromaticContact CD1-CE1 3.75Å; F565-F569 HydrophobicContact CD1-CE1 3.75Å; F565-F569 HydrophobicContact CD1-CE2 4.3Å; F565-F569 HydrophobicContact CD1-CG 4.23Å; F565-F569 AromaticContact CD1-CZ 3.96Å; F565-F569 HydrophobicContact CD1-CZ 3.96Å; F565-F569 AromaticContact CE1-CE1 3.99Å; F565-F569 HydrophobicContact CE1-CE1 3.99Å; F565-F569 HydrophobicContact CE1-CZ 4.02Å; F565-F571 HydrophobicContact CB-CZ 4.41Å; F565-F571 AromaticContact CD1-CE1 3.74Å; F565-F571 HydrophobicContact CD1-CE1 3.74Å; F565-F571 HydrophobicContact CD1-CZ 4.27Å; F565-F571 HydrophobicContact CE1-CE1 4.29Å; F565-F571 HydrophobicContact CG-CE1 4.44Å; F565-F578 HydrophobicContact CE1-CB 4.13Å; F565-F578 HydrophobicContact CZ-CB 4.4Å
566	P	88.1	Confident	89.7	Confident	66 Å²	66	65.4 Å²	65.4	43%	0.429	37%	0.367	S	S	.	.			trans	-67.1	163	-178.2	29.5	-36.6	0	0	0	112.4	H503 Q564 G568 F569	H503-P566 PolarHBondContact CE1-O 3.29Å; H503-P566 VanDerWaalsContact CE1-O 3.31Å; Q564-P566 WeakPolarHBondContact O-CD 3.4Å; P566-G568 PolarHBondContact O-N 3.29Å; P566-F569 VanDerWaalsContact O-CB 3.27Å; P566-F569 WeakPolarHBondContact O-CB 3.4Å; P566-F569 PolarHBondContact O-N 3.26Å
567	D	83.1	Confident	89.4	Confident	97 Å²	97	68.4 Å²	68.4	52%	0.519	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	122.2	177.9	-164.9	11.4	0	0	0	111	K494 K502	K494-D567 IonicContact NZ-OD1 2.75Å; K494-D567 PolarHBondContact NZ-OD1 2.94Å; K502-D567 HydrophobicContact CD-CB 3.98Å
568	G	83.4	Confident	89.2	Confident	63 Å²	63	68.7 Å²	68.7	65%	0.649	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.5	5.7	-173.7	0	0	0	0	0	115.3	P566 A570	P566-G568 PolarHBondContact O-N 3.29Å; G568-A570 PolarHBondContact O-N 3.23Å
569	F	90.1	Very high	89.1	Confident	64 Å²	64	68 Å²	68	28%	0.281	39%	0.385	S	S	.	.			trans	-54.8	132.1	169.2	-176	-91.2	0	0	0	111.1	F565 P566 F571 N577	F565-F569 AromaticContact CD1-CD1 3.89Å; F565-F569 HydrophobicContact CD1-CD1 3.89Å; F565-F569 HydrophobicContact CD1-CD2 4.42Å; F565-F569 AromaticContact CD1-CE1 3.75Å; F565-F569 HydrophobicContact CD1-CE1 3.75Å; F565-F569 HydrophobicContact CD1-CE2 4.3Å; F565-F569 HydrophobicContact CD1-CG 4.23Å; F565-F569 AromaticContact CD1-CZ 3.96Å; F565-F569 HydrophobicContact CD1-CZ 3.96Å; F565-F569 AromaticContact CE1-CE1 3.99Å; F565-F569 HydrophobicContact CE1-CE1 3.99Å; F565-F569 HydrophobicContact CE1-CZ 4.02Å; P566-F569 VanDerWaalsContact O-CB 3.27Å; P566-F569 WeakPolarHBondContact O-CB 3.4Å; P566-F569 PolarHBondContact O-N 3.26Å; F569-F571 AromaticContact CD1-CD1 3.64Å; F569-F571 HydrophobicContact CD1-CD1 3.64Å; F569-F571 HydrophobicContact CD1-CD2 4.13Å; F569-F571 AromaticContact CD1-CE1 3.58Å; F569-F571 HydrophobicContact CD1-CE1 3.58Å; F569-F571 HydrophobicContact CD1-CE2 4.06Å; F569-F571 AromaticContact CD1-CG 3.94Å; F569-F571 HydrophobicContact CD1-CG 3.94Å; F569-F571 AromaticContact CD1-CZ 3.79Å; F569-F571 HydrophobicContact CD1-CZ 3.79Å; F569-F571 AromaticContact CE1-CD1 3.73Å; F569-F571 HydrophobicContact CE1-CD1 3.73Å; F569-F571 AromaticContact CE1-CE1 3.89Å; F569-F571 HydrophobicContact CE1-CE1 3.89Å; F569-F571 HydrophobicContact CE1-CG 4.28Å; F569-F571 PolarHBondContact O-N 2.77Å; F569-N577 WeakPolarHBondContact CE1-ND2 3.5Å
570	A	89.4	Confident	89.1	Confident	81 Å²	81	66.8 Å²	66.8	67%	0.669	38%	0.382	S	S	*	.			trans	-86.9	103.5	178.5	0	0	0	0	0	109.7	G568 N577	G568-A570 PolarHBondContact O-N 3.23Å; A570-N577 PolarHBondContact O-ND2 3.41Å
571	F	92.1	Very high	89.1	Confident	30 Å²	30	72.4 Å²	72.4	13%	0.132	41%	0.408	C	S	.	.			trans	-76.3	126.1	174.8	-64.8	-77.9	0	0	0	110.1	V477 A478 I492 H503 L560 F565 F569 F578	V477-F571 HydrophobicContact CG2-CD2 4Å; V477-F571 HydrophobicContact CG2-CE2 4.05Å; A478-F571 HydrophobicContact CB-CB 3.7Å; A478-F571 HydrophobicContact CB-CG 4.4Å; I492-F571 HydrophobicContact CD1-CB 4.39Å; I492-F571 HydrophobicContact CD1-CD1 3.47Å; I492-F571 VanDerWaalsContact CD1-CD1 3.47Å; I492-F571 HydrophobicContact CD1-CD2 4.47Å; I492-F571 HydrophobicContact CD1-CE1 3.76Å; I492-F571 HydrophobicContact CD1-CG 3.86Å; I492-F571 HydrophobicContact CD1-CZ 4.38Å; I492-F571 HydrophobicContact CG2-CD2 4.4Å; I492-F571 HydrophobicContact CG2-CE1 4.38Å; I492-F571 HydrophobicContact CG2-CE2 3.99Å; I492-F571 HydrophobicContact CG2-CZ 3.98Å; H503-F571 HydrophobicContact CB-CZ 4.39Å; H503-F571 AromaticContact CD2-CE2 3.73Å; H503-F571 AromaticContact CD2-CZ 3.98Å; H503-F571 AromaticContact CG-CZ 4Å; H503-F571 AromaticContact NE2-CE2 3.91Å; L560-F571 HydrophobicContact CD1-CE1 3.83Å; L560-F571 HydrophobicContact CD1-CZ 3.97Å; F565-F571 HydrophobicContact CB-CZ 4.41Å; F565-F571 AromaticContact CD1-CE1 3.74Å; F565-F571 HydrophobicContact CD1-CE1 3.74Å; F565-F571 HydrophobicContact CD1-CZ 4.27Å; F565-F571 HydrophobicContact CE1-CE1 4.29Å; F565-F571 HydrophobicContact CG-CE1 4.44Å; F569-F571 AromaticContact CD1-CD1 3.64Å; F569-F571 HydrophobicContact CD1-CD1 3.64Å; F569-F571 HydrophobicContact CD1-CD2 4.13Å; F569-F571 AromaticContact CD1-CE1 3.58Å; F569-F571 HydrophobicContact CD1-CE1 3.58Å; F569-F571 HydrophobicContact CD1-CE2 4.06Å; F569-F571 AromaticContact CD1-CG 3.94Å; F569-F571 HydrophobicContact CD1-CG 3.94Å; F569-F571 AromaticContact CD1-CZ 3.79Å; F569-F571 HydrophobicContact CD1-CZ 3.79Å; F569-F571 AromaticContact CE1-CD1 3.73Å; F569-F571 HydrophobicContact CE1-CD1 3.73Å; F569-F571 AromaticContact CE1-CE1 3.89Å; F569-F571 HydrophobicContact CE1-CE1 3.89Å; F569-F571 HydrophobicContact CE1-CG 4.28Å; F569-F571 PolarHBondContact O-N 2.77Å; F571-F578 HydrophobicContact CB-CD1 4.32Å; F571-F578 HydrophobicContact CB-CE1 4.34Å; F571-F578 HydrophobicContact CD1-CB 4.21Å; F571-F578 AromaticContact CD1-CD1 3.73Å; F571-F578 HydrophobicContact CD1-CD1 3.73Å; F571-F578 HydrophobicContact CD1-CE1 4.47Å; F571-F578 HydrophobicContact CD1-CG 4.25Å; F571-F578 HydrophobicContact CE1-CB 4.34Å; F571-F578 HydrophobicContact CG-CD1 4.49Å
572	D	89.3	Confident	89.2	Confident	66 Å²	66	75.9 Å²	75.9	35%	0.353	43%	0.425	S	S	.	.			trans	-101.9	124.6	175.2	-167.2	-31.5	0	0	0	109.1	D574 E575 N577 F578	D572-D574 PolarHBondContact OD1-N 2.94Å; D572-E575 PolarHBondContact OD1-N 3.49Å; D572-N577 PolarHBondContact N-ND2 3.32Å; D572-N577 PolarHBondContact N-OD1 3.3Å; D572-F578 VanDerWaalsContact O-CE1 3.29Å; D572-F578 WeakPolarHBondContact O-CE1 3.29Å
573	T	87.9	Confident	89.5	Confident	53 Å²	53	73 Å²	73	33%	0.325	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-16.7	-177.2	53.5	0	0	0	0	113.2	A478 E479 I480	A478-T573 HydrophobicContact CB-CG2 4.04Å; E479-T573 WeakPolarHBondContact O-CG2 3.22Å; I480-T573 HydrophobicContact CG1-CG2 4.2Å
574	D	83.1	Confident	89.8	Confident	152 Å²	152	66.7 Å²	66.7	81%	0.813	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-47.1	178.2	-66.4	-30	0	0	0	109.8	D572	D572-D574 PolarHBondContact OD1-N 2.94Å
575	E	86.3	Confident	90.3	Very high	161 Å²	161	61 Å²	61	75%	0.752	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	86.7	168.3	-70.5	-169.7	179.2	0	0	109.8	D572 N577	D572-E575 PolarHBondContact OD1-N 3.49Å; E575-N577 PolarHBondContact O-N 3.3Å
576	V	87.3	Confident	90.5	Very high	67 Å²	67	60.4 Å²	60.4	41%	0.406	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	106.3	-171.4	-176.8	0	0	0	0	112.1	I480 F578 T580	I480-V576 HydrophobicContact CD1-CG2 4.19Å; V576-F578 HydrophobicContact CG1-CD1 4.43Å; V576-F578 HydrophobicContact CG1-CD2 3.97Å; V576-F578 HydrophobicContact CG1-CE1 4.29Å; V576-F578 HydrophobicContact CG1-CE2 3.79Å; V576-F578 HydrophobicContact CG1-CG 4.31Å; V576-F578 HydrophobicContact CG1-CZ 3.97Å; V576-F578 WeakPolarHBondContact CG1-O 3.34Å; V576-T580 HydrophobicContact CG1-CG2 3.76Å
577	N	90.8	Very high	90.9	Very high	62 Å²	62	57.3 Å²	57.3	33%	0.332	33%	0.326	S	S	.	.			trans	-102.7	18.8	-176	72	-11.1	0	0	0	114.1	F569 A570 D572 E575	F569-N577 WeakPolarHBondContact CE1-ND2 3.5Å; A570-N577 PolarHBondContact O-ND2 3.41Å; D572-N577 PolarHBondContact N-ND2 3.32Å; D572-N577 PolarHBondContact N-OD1 3.3Å; E575-N577 PolarHBondContact O-N 3.3Å
578	F	92.6	Very high	91.6	Very high	13 Å²	13	52.7 Å²	52.7	6%	0.057	30%	0.301	C	S	.	.	S	Bend	trans	-137.6	157.8	-178.6	49.9	-95.8	0	0	0	110.9	I480 L490 I492 L505 F565 F571 D572 V576 T580	I480-F578 HydrophobicContact CD1-CE2 4.26Å; I480-F578 HydrophobicContact CD1-CZ 3.89Å; I480-F578 HydrophobicContact CG1-CZ 4.43Å; L490-F578 HydrophobicContact CD1-CE2 4Å; L490-F578 HydrophobicContact CD2-CE2 3.59Å; L490-F578 HydrophobicContact CD2-CZ 3.86Å; L490-F578 HydrophobicContact CG-CE2 4.49Å; I492-F578 HydrophobicContact CD1-CB 4.4Å; I492-F578 HydrophobicContact CD1-CD1 3.8Å; I492-F578 HydrophobicContact CD1-CD2 3.92Å; I492-F578 HydrophobicContact CD1-CE1 3.95Å; I492-F578 HydrophobicContact CD1-CE2 4.07Å; I492-F578 HydrophobicContact CD1-CG 3.77Å; I492-F578 HydrophobicContact CD1-CZ 4.07Å; L505-F578 HydrophobicContact CD1-CD2 3.96Å; F565-F578 HydrophobicContact CE1-CB 4.13Å; F565-F578 HydrophobicContact CZ-CB 4.4Å; F571-F578 HydrophobicContact CB-CD1 4.32Å; F571-F578 HydrophobicContact CB-CE1 4.34Å; F571-F578 HydrophobicContact CD1-CB 4.21Å; F571-F578 AromaticContact CD1-CD1 3.73Å; F571-F578 HydrophobicContact CD1-CD1 3.73Å; F571-F578 HydrophobicContact CD1-CE1 4.47Å; F571-F578 HydrophobicContact CD1-CG 4.25Å; F571-F578 HydrophobicContact CE1-CB 4.34Å; F571-F578 HydrophobicContact CG-CD1 4.49Å; D572-F578 VanDerWaalsContact O-CE1 3.29Å; D572-F578 WeakPolarHBondContact O-CE1 3.29Å; V576-F578 HydrophobicContact CG1-CD1 4.43Å; V576-F578 HydrophobicContact CG1-CD2 3.97Å; V576-F578 HydrophobicContact CG1-CE1 4.29Å; V576-F578 HydrophobicContact CG1-CE2 3.79Å; V576-F578 HydrophobicContact CG1-CG 4.31Å; V576-F578 HydrophobicContact CG1-CZ 3.97Å; V576-F578 WeakPolarHBondContact CG1-O 3.34Å; F578-T580 HydrophobicContact CD2-CG2 4.16Å; F578-T580 HydrophobicContact CE2-CG2 4.03Å
579	P	92.8	Very high	92.2	Very high	41 Å²	41	49.7 Å²	49.7	27%	0.266	27%	0.271	S	S	.	.			trans	-66	135.6	-177.7	25.9	-34.9	0	0	0	112.2	L505 F558 L560	L505-P579 VanDerWaalsContact CD1-O 3.26Å; L505-P579 WeakPolarHBondContact CD1-O 3.4Å; F558-P579 HydrophobicContact CD1-CG 3.98Å; F558-P579 HydrophobicContact CE1-CG 3.79Å; L560-P579 HydrophobicContact CD2-CG 3.53Å
580	T	91.9	Very high	92.5	Very high	27 Å²	27	46.6 Å²	46.6	17%	0.166	26%	0.257	C	S	.	.			trans	-124.6	11	173.7	57.1	0	0	0	0	112.8	L490 R517 V576 F578	L490-T580 HydrophobicContact CD1-CG2 4.35Å; R517-T580 PolarHBondContact NH1-O 3.41Å; R517-T580 VanDerWaalsContact NH1-O 3.09Å; V576-T580 HydrophobicContact CG1-CG2 3.76Å; F578-T580 HydrophobicContact CD2-CG2 4.16Å; F578-T580 HydrophobicContact CE2-CG2 4.03Å
581	E	92.6	Very high	92.7	Very high	118 Å²	118	42.8 Å²	42.8	55%	0.551	23%	0.226	S	C	*	.	S	Bend	trans	-136.2	163.8	178.5	-64.8	-177.6	-179.7	0	0	108.5	R517 L583	R517-E581 CarbonylContact O-C 3.54Å; E581-L583 PolarHBondContact O-N 3.17Å
582	N	93.8	Very high	92.7	Very high	106 Å²	106	42.1 Å²	42.1	57%	0.567	22%	0.223	S	C	*	.	S	Bend	trans	58.5	34.1	-172.9	-53.7	-54.1	0	0	0	113.6	R517 S519	R517-N582 PolarHBondContact O-N 3.17Å; S519-N582 WeakPolarHBondContact OG-CA 3.23Å; S519-N582 PolarHBondContact OG-O 3.39Å
583	L	96.1	Very high	92.8	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	170.5	177.5	-50.8	177.1	0	0	0	111.1	L505 M507 R517 C518 S519 T520 C556 F558 E581	L505-L583 HydrophobicContact CD2-CD1 4.4Å; L505-L583 HydrophobicContact CD2-CD2 4.1Å; M507-L583 HydrophobicContact CE-CD1 3.58Å; M507-L583 HydrophobicContact SD-CD1 3.89Å; R517-L583 PolarHBondContact O-N 3.29Å; C518-L583 CarbonylContact C-O 3.58Å; C518-L583 VanDerWaalsContact CA-O 3.23Å; C518-L583 WeakPolarHBondContact CA-O 3.25Å; S519-L583 PolarHBondContact N-O 3.27Å; T520-L583 PolarHBondContact N-O 3.01Å; C556-L583 HydrophobicContact CB-CB 4.47Å; F558-L583 HydrophobicContact CB-CD2 3.6Å; F558-L583 HydrophobicContact CD2-CD2 4.42Å; F558-L583 HydrophobicContact CG-CD2 3.96Å; E581-L583 PolarHBondContact O-N 3.17Å
584	C	96.3	Very high	93	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	114.6	175.9	-170.7	0	0	0	0	110.8	T520 V522 C556 H557	T520-C584 CarbonylContact O-C 3.47Å; T520-C584 WeakPolarHBondContact O-CA 3.01Å; T520-C584 WeakPolarHBondContact OG1-CA 3.33Å; T520-C584 WeakPolarHBondContact OG1-CB 3.24Å; T520-C584 PolarHBondContact OG1-SG 2.82Å; V522-C584 VanDerWaalsContact CG2-SG 3.54Å; C556-C584 CarbonylContact C-O 3.58Å; C556-C584 VanDerWaalsContact CA-O 3.26Å; C556-C584 WeakPolarHBondContact CA-O 3.28Å; C556-C584 WeakPolarHBondContact CB-O 3.45Å; H557-C584 PolarHBondContact N-O 2.85Å; H557-C584 WeakPolarHBondContact O-CA 3.19Å; H557-C584 WeakPolarHBondContact O-CB 2.94Å; H557-C584 PolarHBondContact O-N 3.41Å
585	F	97.5	Very high	93.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	136.6	177.6	-169.3	-89.4	0	0	0	110.7	W392 I514 L515 C518 T520 I521 V522 F538 G587 L588	W392-F585 HydrophobicContact CE3-CE1 4.04Å; W392-F585 HydrophobicContact CZ3-CD1 4.33Å; W392-F585 AromaticContact CZ3-CE1 3.65Å; W392-F585 HydrophobicContact CZ3-CE1 3.65Å; W392-F585 HydrophobicContact CZ3-CZ 4.5Å; I514-F585 HydrophobicContact CG2-CD2 3.94Å; I514-F585 HydrophobicContact CG2-CE2 3.94Å; L515-F585 HydrophobicContact CD1-CD2 4.49Å; C518-F585 HydrophobicContact CB-CB 3.87Å; T520-F585 PolarHBondContact O-N 3.46Å; I521-F585 VanDerWaalsContact CA-O 3.29Å; I521-F585 WeakPolarHBondContact CA-O 3.44Å; I521-F585 HydrophobicContact CB-CB 4.36Å; I521-F585 HydrophobicContact CD1-CD1 3.84Å; I521-F585 HydrophobicContact CG1-CB 4.33Å; I521-F585 HydrophobicContact CG1-CD1 4.06Å; V522-F585 PolarHBondContact N-O 2.99Å; F538-F585 HydrophobicContact CD2-CE1 4.19Å; F538-F585 HydrophobicContact CD2-CE2 4.42Å; F538-F585 AromaticContact CD2-CZ 3.87Å; F538-F585 HydrophobicContact CD2-CZ 3.87Å; F538-F585 HydrophobicContact CE2-CE1 4.27Å; F538-F585 AromaticContact CE2-CE2 3.81Å; F538-F585 HydrophobicContact CE2-CE2 3.81Å; F538-F585 AromaticContact CE2-CZ 3.49Å; F538-F585 HydrophobicContact CE2-CZ 3.49Å; F538-F585 VanDerWaalsContact CE2-CZ 3.49Å; F585-G587 VanDerWaalsContact CE1-CA 3.4Å; F585-G587 VanDerWaalsContact CE1-N 3.26Å; F585-G587 WeakPolarHBondContact CZ-O 3.4Å; F585-L588 HydrophobicContact CZ-CD2 3.96Å; F585-L588 HydrophobicContact CZ-CG 4.2Å
586	I	96.8	Very high	93.8	Very high	1 Å²	1	24.5 Å²	24.5	1%	0.005	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-46.9	179.5	-58.2	-51.4	0	0	0	112.3	T417 L421 I424 V522 F555 H557	T417-I586 HydrophobicContact CG2-CG2 4.11Å; L421-I586 HydrophobicContact CB-CG2 3.62Å; L421-I586 HydrophobicContact CD1-CB 4.39Å; L421-I586 HydrophobicContact CD1-CG2 4.01Å; L421-I586 HydrophobicContact CG-CG2 4.33Å; I424-I586 HydrophobicContact CD1-CB 3.92Å; I424-I586 HydrophobicContact CD1-CG1 3.41Å; I424-I586 VanDerWaalsContact CD1-CG1 3.41Å; I424-I586 HydrophobicContact CD1-CG2 4.39Å; V522-I586 HydrophobicContact CB-CD1 3.78Å; V522-I586 HydrophobicContact CG2-CD1 3.27Å; F555-I586 PolarHBondContact O-N 3.43Å; H557-I586 WeakPolarHBondContact CD2-CD1 3.37Å; H557-I586 VanDerWaalsContact NE2-CD1 3.28Å; H557-I586 WeakPolarHBondContact NE2-CD1 3.49Å
587	G	96.1	Very high	93.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	175.6	-174.2	0	0	0	0	0	114.8	W392 F555 F585	W392-G587 CarbonylContact O-C 3.41Å; W392-G587 WeakPolarHBondContact O-CA 3.33Å; F555-G587 PolarHBondContact N-O 2.98Å; F555-G587 PolarHBondContact O-N 3.17Å; F585-G587 VanDerWaalsContact CE1-CA 3.4Å; F585-G587 VanDerWaalsContact CE1-N 3.26Å; F585-G587 WeakPolarHBondContact CZ-O 3.4Å
588	L	97.2	Very high	93.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	149.4	169.2	-58.3	170.5	0	0	0	110	M391 W392 P511 F538 V552 L553 F585	M391-L588 CarbonylContact C-O 3.6Å; M391-L588 VanDerWaalsContact CA-O 3.29Å; M391-L588 WeakPolarHBondContact CA-O 3.41Å; W392-L588 HydrophobicContact CB-CB 3.92Å; W392-L588 HydrophobicContact CB-CD1 4.21Å; W392-L588 HydrophobicContact CB-CG 4.32Å; W392-L588 HydrophobicContact CE3-CD1 4.32Å; W392-L588 HydrophobicContact CE3-CG 4.21Å; W392-L588 PolarHBondContact N-O 3.42Å; W392-L588 PolarHBondContact O-N 3.46Å; P511-L588 HydrophobicContact CB-CD2 3.98Å; P511-L588 HydrophobicContact CG-CD2 4.3Å; F538-L588 HydrophobicContact CD2-CD1 4.14Å; F538-L588 HydrophobicContact CD2-CD2 4.41Å; F538-L588 HydrophobicContact CD2-CG 4.35Å; F538-L588 HydrophobicContact CE2-CD1 3.93Å; F538-L588 HydrophobicContact CE2-CD2 3.5Å; F538-L588 HydrophobicContact CE2-CG 3.91Å; F538-L588 HydrophobicContact CZ-CD2 4.02Å; V552-L588 HydrophobicContact CG1-CB 3.93Å; V552-L588 HydrophobicContact CG1-CD1 4.04Å; V552-L588 HydrophobicContact CG1-CD2 3.96Å; V552-L588 HydrophobicContact CG1-CG 4.2Å; L553-L588 VanDerWaalsContact O-CA 3.29Å; L553-L588 WeakPolarHBondContact O-CA 3.49Å; F585-L588 HydrophobicContact CZ-CD2 3.96Å; F585-L588 HydrophobicContact CZ-CG 4.2Å
589	M	97.2	Very high	93.9	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	130.7	158.3	-55.9	-163.3	172.8	0	0	109.1	M391 W418 L421 A425 L456 I460 L553 F555	M391-M589 HydrophobicContact CG-CB 4.4Å; M391-M589 HydrophobicContact CG-CG 3.98Å; M391-M589 HydrophobicContact CG-SD 4.42Å; W418-M589 HydrophobicContact CH2-CE 4.08Å; W418-M589 HydrophobicContact CZ3-CE 3.7Å; L421-M589 HydrophobicContact CD1-CE 4.23Å; L421-M589 HydrophobicContact CD2-CE 3.95Å; L421-M589 HydrophobicContact CD2-CG 4.41Å; L421-M589 HydrophobicContact CG-CE 3.57Å; A425-M589 HydrophobicContact CB-CE 3.82Å; A425-M589 HydrophobicContact CB-SD 4.17Å; L456-M589 HydrophobicContact CD2-CB 4.31Å; L456-M589 HydrophobicContact CD2-CG 4.46Å; L456-M589 HydrophobicContact CD2-SD 3.44Å; L456-M589 WeakPolarHBondContact CD2-SD 3.24Å; I460-M589 HydrophobicContact CD1-CE 4.33Å; L553-M589 PolarHBondContact N-O 3.14Å; L553-M589 PolarHBondContact O-N 2.82Å; F555-M589 HydrophobicContact CD2-CB 4.4Å; F555-M589 HydrophobicContact CD2-CG 4.03Å; F555-M589 HydrophobicContact CE2-CB 3.63Å; F555-M589 HydrophobicContact CE2-CG 3.59Å; F555-M589 HydrophobicContact CE2-SD 4.37Å; F555-M589 HydrophobicContact CZ-CB 4.29Å; F555-M589 HydrophobicContact CZ-CG 4.19Å; F555-M589 HydrophobicContact CZ-SD 4.39Å
590	A	95.7	Very high	93.9	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	143.1	175.5	0	0	0	0	0	110.2	A389 H390 L545 E550 R551 V552	A389-A590 PolarHBondContact N-O 3.25Å; H390-A590 HydrophobicContact CB-CB 4.32Å; H390-A590 PolarHBondContact N-O 3.47Å; H390-A590 PolarHBondContact O-N 3.32Å; L545-A590 HydrophobicContact CB-CB 4.2Å; L545-A590 HydrophobicContact CD1-CB 4.03Å; L545-A590 HydrophobicContact CD2-CB 4.29Å; L545-A590 HydrophobicContact CG-CB 4.4Å; E550-A590 HydrophobicContact CB-CB 3.91Å; E550-A590 WeakPolarHBondContact OE2-CB 3.4Å; R551-A590 CarbonylContact O-C 3.6Å; R551-A590 VanDerWaalsContact O-CA 3.28Å; R551-A590 WeakPolarHBondContact O-CA 3.43Å; V552-A590 HydrophobicContact CG2-CB 4.02Å
591	M	94.1	Very high	94.1	Very high	1 Å²	1	25 Å²	25	1%	0.005	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	146.2	-175.4	59.6	-169.9	73.4	0	0	110.9	M386 T387 S452 A455 L456 R551 L553	M386-M591 HydrophobicContact CG-CB 4.11Å; M386-M591 HydrophobicContact CG-CG 3.86Å; M386-M591 HydrophobicContact CG-SD 3.85Å; M386-M591 HydrophobicContact SD-CB 4.03Å; M386-M591 HydrophobicContact SD-CG 3.79Å; T387-M591 VanDerWaalsContact O-CA 3.24Å; T387-M591 WeakPolarHBondContact O-CA 3.3Å; T387-M591 VanDerWaalsContact O-CB 3.32Å; T387-M591 WeakPolarHBondContact O-CB 3.34Å; S452-M591 VanDerWaalsContact CA-SD 3.54Å; S452-M591 VanDerWaalsContact CB-SD 3.59Å; A455-M591 HydrophobicContact CB-SD 4.11Å; L456-M591 HydrophobicContact CD1-CE 4.35Å; L456-M591 HydrophobicContact CD2-CE 3.85Å; L456-M591 HydrophobicContact CG-CE 3.89Å; R551-M591 HydrophobicContact CB-CG 4.14Å; R551-M591 PolarHBondContact N-O 3.37Å; R551-M591 PolarHBondContact O-N 2.92Å; L553-M591 HydrophobicContact CD1-CE 3.78Å; L553-M591 HydrophobicContact CG-CE 4.43Å
592	I	92.4	Very high	94.2	Very high	15 Å²	15	19.4 Å²	19.4	8%	0.077	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	168	-179.8	-159.4	171.8	0	0	0	109.2	M386 T387 A389 E550 P594 I627	M386-I592 VanDerWaalsContact SD-CA 3.57Å; T387-I592 PolarHBondContact N-O 3.21Å; T387-I592 PolarHBondContact O-N 3.2Å; T387-I592 VanDerWaalsContact O-O 3.1Å; A389-I592 HydrophobicContact CB-CG2 3.94Å; E550-I592 HydrophobicContact CG-CB 4.18Å; E550-I592 HydrophobicContact CG-CD1 4.23Å; I592-P594 HydrophobicContact CG2-CB 4.44Å; I592-P594 VanDerWaalsContact O-CD 3.25Å; I592-P594 WeakPolarHBondContact O-CD 3.46Å; I592-I627 HydrophobicContact CD1-CD1 3.75Å; I592-I627 HydrophobicContact CD1-CG1 4.35Å; I592-I627 HydrophobicContact CG1-CD1 4.39Å
593	D	90.9	Very high	94.3	Very high	16 Å²	16	14.4 Å²	14.4	9%	0.086	9%	0.09	C	C	.	.			trans	-83.5	101.3	162.2	178.9	21.9	0	0	0	109.1	K377 T382 Q383 N384 R385	K377-D593 IonicContact NZ-OD2 3.82Å; K377-D593 PolarHBondContact NZ-OD2 3.44Å; T382-D593 WeakPolarHBondContact CB-OD2 3.42Å; T382-D593 WeakPolarHBondContact CG2-O 3.43Å; T382-D593 PolarHBondContact OG1-OD2 3.41Å; Q383-D593 PolarHBondContact N-OD1 2.87Å; N384-D593 WeakPolarHBondContact CA-OD1 3.4Å; N384-D593 PolarHBondContact N-OD1 3.01Å; R385-D593 PolarHBondContact N-OD1 3.01Å
594	P	92.4	Very high	94.3	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.006	11%	0.106	C	C	.	.	P	Polyproline II helix	trans	-80.7	157.4	-167.4	34.6	-36	0	0	0	112.1	T382 Q383 R385 T402 I592	T382-P594 CarbonylContact C-O 3.56Å; T382-P594 VanDerWaalsContact CA-O 3.24Å; T382-P594 WeakPolarHBondContact CA-O 3.4Å; T382-P594 WeakPolarHBondContact CB-O 3.31Å; Q383-P594 PolarHBondContact N-O 3.02Å; R385-P594 VanDerWaalsContact O-CD 3.22Å; R385-P594 WeakPolarHBondContact O-CD 3.48Å; T402-P594 HydrophobicContact CG2-CB 4.16Å; T402-P594 WeakPolarHBondContact O-CG 3.45Å; I592-P594 HydrophobicContact CG2-CB 4.44Å; I592-P594 VanDerWaalsContact O-CD 3.25Å; I592-P594 WeakPolarHBondContact O-CD 3.46Å
595	P	93.3	Very high	94.3	Very high	28 Å²	28	20.2 Å²	20.2	18%	0.182	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-55.1	153	169.2	-25	35.4	0	0	0	113.1	L381 Q383 I627 V631	L381-P595 WeakPolarHBondContact O-CA 3.26Å; Q383-P595 PolarHBondContact NE2-O 3.13Å; P595-I627 HydrophobicContact CG-CD1 4.42Å; P595-V631 HydrophobicContact CB-CG1 3.75Å; P595-V631 HydrophobicContact CG-CG1 3.68Å
596	R	91.4	Very high	94.3	Very high	18 Å²	18	20.3 Å²	20.3	7%	0.068	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-70.4	148.4	167.2	-59.6	173.2	177	-91.3	9.7	109.5	G379 T380 L381 T382 Q383 A598 V599 P600 D753	G379-R596 PolarHBondContact O-NE 2.74Å; G379-R596 PolarHBondContact O-NH2 3.13Å; T380-R596 WeakPolarHBondContact O-CD 3.21Å; T380-R596 PolarHBondContact O-NE 3.06Å; L381-R596 PolarHBondContact O-N 2.97Å; T382-R596 PolarHBondContact O-NE 2.58Å; Q383-R596 HydrophobicContact CG-CB 4.48Å; Q383-R596 HydrophobicContact CG-CG 3.86Å; R596-A598 VanDerWaalsContact C-N 3.27Å; R596-A598 PolarHBondContact O-N 2.82Å; R596-A598 VanDerWaalsContact O-N 3.13Å; R596-V599 HydrophobicContact CB-CB 4.46Å; R596-V599 HydrophobicContact CB-CG2 3.74Å; R596-V599 HydrophobicContact CG-CG2 4.45Å; R596-V599 WeakPolarHBondContact O-CB 3.31Å; R596-V599 PolarHBondContact O-N 3.25Å; R596-P600 WeakPolarHBondContact O-CD 3.33Å; R596-D753 IonicContact CZ-OD2 3.12Å; R596-D753 IonicContact NH2-OD2 2.9Å; R596-D753 PolarHBondContact NH2-OD2 3.16Å
597	A	88.4	Confident	94.2	Very high	40 Å²	40	24.1 Å²	24.1	33%	0.331	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.3	-171.2	0	0	0	0	0	113.9	T403	T403-A597 HydrophobicContact CG2-CB 4.24Å
598	A	90.7	Very high	94.2	Very high	32 Å²	32	28.2 Å²	28.2	26%	0.264	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-10.3	-178.3	0	0	0	0	0	114.4	R596 A602 A756	R596-A598 VanDerWaalsContact C-N 3.27Å; R596-A598 PolarHBondContact O-N 2.82Å; R596-A598 VanDerWaalsContact O-N 3.13Å; A598-A602 WeakPolarHBondContact O-CB 3.46Å; A598-A602 PolarHBondContact O-N 3.03Å; A598-A756 HydrophobicContact CB-CB 4.08Å
599	V	94.6	Very high	94.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.4	-47.7	-171.5	163.8	0	0	0	0	113	L381 R596 D601 A602 V603 V631 F755	L381-V599 HydrophobicContact CB-CG1 4.19Å; L381-V599 HydrophobicContact CD2-CG1 3.6Å; L381-V599 HydrophobicContact CG-CG1 4.49Å; L381-V599 WeakPolarHBondContact O-CG2 3.09Å; R596-V599 HydrophobicContact CB-CB 4.46Å; R596-V599 HydrophobicContact CB-CG2 3.74Å; R596-V599 HydrophobicContact CG-CG2 4.45Å; R596-V599 WeakPolarHBondContact O-CB 3.31Å; R596-V599 PolarHBondContact O-N 3.25Å; V599-D601 PolarHBondContact O-N 3.44Å; V599-A602 PolarHBondContact O-N 3.23Å; V599-V603 HydrophobicContact CG1-CG2 4.19Å; V599-V603 WeakPolarHBondContact O-CG2 3.5Å; V599-V603 PolarHBondContact O-N 3.33Å; V599-V631 HydrophobicContact CG1-CB 3.92Å; V599-V631 HydrophobicContact CG1-CG1 3.66Å; V599-F755 HydrophobicContact CG2-CB 3.44Å; V599-F755 VanDerWaalsContact CG2-CB 3.44Å; V599-F755 HydrophobicContact CG2-CD1 4.21Å; V599-F755 HydrophobicContact CG2-CD2 4.36Å; V599-F755 HydrophobicContact CG2-CG 3.78Å
600	P	93.4	Very high	94.1	Very high	54 Å²	54	29.1 Å²	29.1	35%	0.351	18%	0.178	S	C	.	.	H	α-helix	trans	-57.3	-47.3	-179.7	-26.6	35.3	0	0	0	113.3	R596 G604	R596-P600 WeakPolarHBondContact O-CD 3.33Å; P600-G604 PolarHBondContact O-N 3.25Å
601	D	94.5	Very high	94.2	Very high	93 Å²	93	29.3 Å²	29.3	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-64.8	-41	176.7	176	60.2	0	0	0	111.8	V599 G604 K605	V599-D601 PolarHBondContact O-N 3.44Å; D601-G604 PolarHBondContact O-N 3.47Å; D601-K605 WeakPolarHBondContact O-CG 3.3Å; D601-K605 PolarHBondContact O-N 3.44Å; D601-K605 WeakPolarHBondContact OD1-CE 3.39Å; D601-K605 IonicContact OD1-NZ 3.84Å; D601-K605 WeakPolarHBondContact OD2-CE 3.07Å; D601-K605 IonicContact OD2-NZ 3.83Å; D601-K605 PolarHBondContact OD2-NZ 3.13Å
602	A	95.8	Very high	94.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-64.9	-42.7	179.6	0	0	0	0	0	112.7	A598 V599 K605 C606 F755 A756 V759	A598-A602 WeakPolarHBondContact O-CB 3.46Å; A598-A602 PolarHBondContact O-N 3.03Å; V599-A602 PolarHBondContact O-N 3.23Å; A602-K605 PolarHBondContact O-N 3.5Å; A602-C606 PolarHBondContact O-N 3.43Å; A602-C606 PolarHBondContact O-SG 2.92Å; A602-C606 VanDerWaalsContact O-SG 3.37Å; A602-F755 HydrophobicContact CB-CD1 3.75Å; A602-F755 HydrophobicContact CB-CE1 4.41Å; A602-A756 HydrophobicContact CB-CB 4.44Å; A602-V759 HydrophobicContact CB-CG2 3.8Å
603	V	96.3	Very high	94.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	19%	0.188	C	C	.	.	H	α-helix	trans	-62.2	-45	173.8	171.9	0	0	0	0	110.2	L381 V599 K605 C606 R607 V613 V631 I633 F755	L381-V603 HydrophobicContact CD2-CG2 4.37Å; V599-V603 HydrophobicContact CG1-CG2 4.19Å; V599-V603 WeakPolarHBondContact O-CG2 3.5Å; V599-V603 PolarHBondContact O-N 3.33Å; V603-K605 VanDerWaalsContact C-N 3.32Å; V603-K605 PolarHBondContact O-N 3.34Å; V603-C606 PolarHBondContact O-N 3.49Å; V603-R607 WeakPolarHBondContact O-CG 3.49Å; V603-R607 PolarHBondContact O-N 2.97Å; V603-V613 HydrophobicContact CG1-CG2 4.39Å; V603-V631 WeakPolarHBondContact CB-O 3.3Å; V603-V631 WeakPolarHBondContact CG1-O 3.41Å; V603-I633 HydrophobicContact CG1-CG1 4.08Å; V603-F755 HydrophobicContact CG2-CE1 4.14Å
604	G	95.8	Very high	95	Very high	32 Å²	32	30.8 Å²	30.8	33%	0.33	18%	0.184	S	C	.	.	H	α-helix	trans	-57.4	-41.4	174.9	0	0	0	0	0	113.1	P600 D601 R607 S608	P600-G604 PolarHBondContact O-N 3.25Å; D601-G604 PolarHBondContact O-N 3.47Å; G604-R607 PolarHBondContact O-N 3.16Å; G604-S608 WeakPolarHBondContact O-CB 3.2Å; G604-S608 PolarHBondContact O-N 3.13Å; G604-S608 PolarHBondContact O-OG 3.1Å
605	K	96.3	Very high	95.2	Very high	92 Å²	92	30.8 Å²	30.8	40%	0.4	18%	0.184	S	C	.	.	H	α-helix	trans	-68	-41.7	175.7	-76	175.9	-179.8	160.3	0	112.9	D601 A602 V603 R607 S608 A609 V759	D601-K605 WeakPolarHBondContact O-CG 3.3Å; D601-K605 PolarHBondContact O-N 3.44Å; D601-K605 WeakPolarHBondContact OD1-CE 3.39Å; D601-K605 IonicContact OD1-NZ 3.84Å; D601-K605 WeakPolarHBondContact OD2-CE 3.07Å; D601-K605 IonicContact OD2-NZ 3.83Å; D601-K605 PolarHBondContact OD2-NZ 3.13Å; A602-K605 PolarHBondContact O-N 3.5Å; V603-K605 VanDerWaalsContact C-N 3.32Å; V603-K605 PolarHBondContact O-N 3.34Å; K605-R607 VanDerWaalsContact C-N 3.33Å; K605-R607 PolarHBondContact O-N 3.46Å; K605-S608 WeakPolarHBondContact O-CB 3.33Å; K605-S608 PolarHBondContact O-N 2.97Å; K605-A609 WeakPolarHBondContact O-CB 3.42Å; K605-A609 PolarHBondContact O-N 3.26Å; K605-V759 HydrophobicContact CB-CG1 3.89Å; K605-V759 HydrophobicContact CB-CG2 4.02Å; K605-V759 HydrophobicContact CD-CG1 4Å
606	C	96.4	Very high	95.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-45	173.4	-72.3	0	0	0	0	111.2	I373 A602 V603 A609 G610 I611 V613	I373-C606 HydrophobicContact CD1-CB 4.23Å; A602-C606 PolarHBondContact O-N 3.43Å; A602-C606 PolarHBondContact O-SG 2.92Å; A602-C606 VanDerWaalsContact O-SG 3.37Å; V603-C606 PolarHBondContact O-N 3.49Å; C606-A609 CarbonylContact O-C 3.49Å; C606-A609 WeakPolarHBondContact O-CB 3.47Å; C606-A609 PolarHBondContact O-N 3.03Å; C606-G610 PolarHBondContact O-N 3Å; C606-I611 HydrophobicContact CB-CB 4.35Å; C606-I611 VanDerWaalsContact O-CB 3.29Å; C606-I611 WeakPolarHBondContact O-CB 3.27Å; C606-I611 PolarHBondContact O-N 3.4Å; C606-V613 HydrophobicContact CB-CG2 4.27Å
607	R	95.8	Very high	95.5	Very high	82 Å²	82	28.9 Å²	28.9	31%	0.309	17%	0.174	S	C	.	.	H	α-helix	trans	-65.6	-39.8	176.2	-68.8	-172.3	70.3	173.8	6.4	112.6	V603 G604 K605 A609 G610 V613 G632 I633 S635 E687	V603-R607 WeakPolarHBondContact O-CG 3.49Å; V603-R607 PolarHBondContact O-N 2.97Å; G604-R607 PolarHBondContact O-N 3.16Å; K605-R607 VanDerWaalsContact C-N 3.33Å; K605-R607 PolarHBondContact O-N 3.46Å; R607-A609 PolarHBondContact O-N 2.93Å; R607-G610 WeakPolarHBondContact O-CA 3.46Å; R607-G610 PolarHBondContact O-N 3.36Å; R607-V613 HydrophobicContact CG-CG2 4.09Å; R607-G632 WeakPolarHBondContact CD-O 3.46Å; R607-G632 PolarHBondContact NH1-O 2.85Å; R607-I633 PolarHBondContact NH1-O 2.89Å; R607-S635 PolarHBondContact NH1-OG 3.26Å; R607-E687 IonicContact CZ-OE1 2.83Å; R607-E687 IonicContact NH1-OE1 2.72Å; R607-E687 PolarHBondContact NH1-OE1 3.49Å; R607-E687 IonicContact NH2-OE1 3.21Å; R607-E687 PolarHBondContact NH2-OE1 3.21Å
608	S	95.2	Very high	95.4	Very high	85 Å²	85	27.1 Å²	27.1	59%	0.594	16%	0.16	S	C	*	.	H	α-helix	trans	-60.3	-31.9	174.1	-60.7	0	0	0	0	112.1	G604 K605 G610	G604-S608 WeakPolarHBondContact O-CB 3.2Å; G604-S608 PolarHBondContact O-N 3.13Å; G604-S608 PolarHBondContact O-OG 3.1Å; K605-S608 WeakPolarHBondContact O-CB 3.33Å; K605-S608 PolarHBondContact O-N 2.97Å; S608-G610 PolarHBondContact O-N 2.8Å
609	A	95.9	Very high	95.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	6.7	173.7	0	0	0	0	0	114	K605 C606 R607 R766 M832 R834 P836	K605-A609 WeakPolarHBondContact O-CB 3.42Å; K605-A609 PolarHBondContact O-N 3.26Å; C606-A609 CarbonylContact O-C 3.49Å; C606-A609 WeakPolarHBondContact O-CB 3.47Å; C606-A609 PolarHBondContact O-N 3.03Å; R607-A609 PolarHBondContact O-N 2.93Å; A609-R766 PolarHBondContact O-NH2 3.41Å; A609-M832 WeakPolarHBondContact CA-O 3.48Å; A609-M832 HydrophobicContact CB-CE 4.01Å; A609-M832 WeakPolarHBondContact CB-O 3.45Å; A609-M832 PolarHBondContact N-O 2.87Å; A609-R834 CarbonylContact C-O 3.57Å; A609-P836 WeakPolarHBondContact O-CD 3.47Å
610	G	96.3	Very high	94.6	Very high	20 Å²	20	31 Å²	31	21%	0.206	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	14.2	178.5	0	0	0	0	0	115.2	C606 R607 S608 Q835	C606-G610 PolarHBondContact O-N 3Å; R607-G610 WeakPolarHBondContact O-CA 3.46Å; R607-G610 PolarHBondContact O-N 3.36Å; S608-G610 PolarHBondContact O-N 2.8Å; G610-Q835 VanDerWaalsContact CA-OE1 3.28Å
611	I	97.9	Very high	94.4	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.015	16%	0.164	C	C	.	.			trans	-86.2	128	179.6	-56.1	177.7	0	0	0	109.5	T370 S371 I373 C606 V762 P836	T370-I611 HydrophobicContact CG2-CG2 4.45Å; S371-I611 WeakPolarHBondContact O-CA 3.34Å; I373-I611 HydrophobicContact CB-CG2 4.41Å; I373-I611 HydrophobicContact CD1-CG2 3.78Å; I373-I611 HydrophobicContact CG1-CG2 3.75Å; C606-I611 HydrophobicContact CB-CB 4.35Å; C606-I611 VanDerWaalsContact O-CB 3.29Å; C606-I611 WeakPolarHBondContact O-CB 3.27Å; C606-I611 PolarHBondContact O-N 3.4Å; I611-V762 HydrophobicContact CD1-CG1 3.92Å; I611-V762 HydrophobicContact CD1-CG2 3.83Å; I611-P836 HydrophobicContact CG1-CG 4.04Å
612	K	97.8	Very high	94.1	Very high	55 Å²	55	29.7 Å²	29.7	24%	0.239	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	126.5	172.1	-175.6	174.6	-177.1	165.8	0	109.5	S371 T372 I373 I614 L682 H685 A686	S371-K612 PolarHBondContact O-N 3.24Å; T372-K612 CarbonylContact C-O 3.34Å; T372-K612 VanDerWaalsContact CA-O 3.24Å; T372-K612 WeakPolarHBondContact CA-O 3.3Å; T372-K612 HydrophobicContact CG2-CB 4.43Å; I373-K612 PolarHBondContact N-O 3.48Å; K612-I614 HydrophobicContact CD-CD1 4.37Å; K612-I614 HydrophobicContact CG-CG1 4.26Å; K612-L682 PolarHBondContact NZ-O 2.99Å; K612-H685 PolarHBondContact NZ-O 3.29Å; K612-A686 VanDerWaalsContact CE-O 3.3Å; K612-A686 WeakPolarHBondContact CE-O 3.49Å
613	V	97.8	Very high	93.7	Very high	8 Å²	8	31 Å²	31	5%	0.048	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	125.1	178.3	-170.5	0	0	0	0	109.1	I373 V603 C606 R607 I633	I373-V613 WeakPolarHBondContact O-CA 3.44Å; V603-V613 HydrophobicContact CG1-CG2 4.39Å; C606-V613 HydrophobicContact CB-CG2 4.27Å; R607-V613 HydrophobicContact CG-CG2 4.09Å; V613-I633 HydrophobicContact CB-CG1 4.32Å; V613-I633 HydrophobicContact CG1-CD1 4.03Å; V613-I633 HydrophobicContact CG1-CG1 3.81Å
614	I	98.3	Very high	93.5	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	129.7	-179.3	-59.4	178.8	0	0	0	107.8	T372 I373 C374 S375 K612 V616 L682 I688 F690	T372-I614 HydrophobicContact CG2-CD1 3.84Å; T372-I614 HydrophobicContact CG2-CG1 4.25Å; I373-I614 PolarHBondContact O-N 3.38Å; C374-I614 CarbonylContact C-O 3.49Å; C374-I614 WeakPolarHBondContact CA-O 3.35Å; S375-I614 PolarHBondContact N-O 3.46Å; K612-I614 HydrophobicContact CD-CD1 4.37Å; K612-I614 HydrophobicContact CG-CG1 4.26Å; I614-V616 HydrophobicContact CG2-CG2 3.94Å; I614-L682 HydrophobicContact CD1-CD2 4.03Å; I614-I688 HydrophobicContact CD1-CD1 4.43Å; I614-I688 HydrophobicContact CG1-CB 4.37Å; I614-I688 HydrophobicContact CG2-CB 4.16Å; I614-I688 HydrophobicContact CG2-CG2 4.28Å; I614-F690 HydrophobicContact CG2-CD2 3.77Å; I614-F690 HydrophobicContact CG2-CE2 3.95Å
615	M	97.9	Very high	93.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	131.4	170.7	-176.1	177	-78.7	0	0	109.4	S375 K377 L381 T617 A624 I627 A628 I633 I688 V689 F690	S375-M615 WeakPolarHBondContact O-CA 3.46Å; K377-M615 HydrophobicContact CB-CE 4.23Å; K377-M615 HydrophobicContact CB-CG 4.4Å; K377-M615 HydrophobicContact CB-SD 4.1Å; K377-M615 HydrophobicContact CG-CE 4.1Å; K377-M615 HydrophobicContact CG-SD 4.26Å; L381-M615 HydrophobicContact CD1-CE 3.61Å; M615-T617 HydrophobicContact CG-CG2 4.22Å; M615-T617 HydrophobicContact SD-CG2 4.24Å; M615-A624 HydrophobicContact SD-CB 4.11Å; M615-I627 HydrophobicContact CE-CB 4.39Å; M615-I627 HydrophobicContact CE-CG2 3.9Å; M615-A628 HydrophobicContact CE-CB 4Å; M615-A628 HydrophobicContact SD-CB 4.25Å; M615-I633 HydrophobicContact CB-CD1 4.03Å; M615-I633 HydrophobicContact CE-CD1 3.93Å; M615-I688 PolarHBondContact N-O 3.41Å; M615-I688 VanDerWaalsContact N-O 3.14Å; M615-V689 HydrophobicContact CB-CB 4.46Å; M615-V689 HydrophobicContact CB-CG1 4.18Å; M615-V689 HydrophobicContact CB-CG2 4.21Å; M615-V689 HydrophobicContact CG-CG1 4.34Å; M615-V689 HydrophobicContact SD-CG1 4.03Å; M615-F690 PolarHBondContact O-N 2.95Å
616	V	96.7	Very high	93.1	Very high	7 Å²	7	27.9 Å²	27.9	4%	0.042	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	96.7	176.9	-172.9	0	0	0	0	109.1	C374 S375 I614 F690 T693 K698 I701	C374-V616 HydrophobicContact CB-CG2 4.13Å; S375-V616 PolarHBondContact O-N 3.07Å; I614-V616 HydrophobicContact CG2-CG2 3.94Å; V616-F690 HydrophobicContact CG1-CB 4.49Å; V616-F690 HydrophobicContact CG2-CD2 4.3Å; V616-T693 HydrophobicContact CG1-CG2 4.5Å; V616-K698 HydrophobicContact CG1-CB 3.97Å; V616-K698 HydrophobicContact CG1-CD 3.89Å; V616-K698 HydrophobicContact CG1-CG 3.64Å; V616-K698 WeakPolarHBondContact O-CE 3.27Å; V616-K698 PolarHBondContact O-NZ 3.19Å; V616-I701 HydrophobicContact CG1-CD1 3.67Å; V616-I701 HydrophobicContact CG2-CD1 4.38Å; V616-I701 HydrophobicContact CG2-CG2 4.01Å
617	T	92.9	Very high	93	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.154	C	C	.	.			trans	-130.7	153.5	-172.6	-170.9	0	0	0	0	112.6	K377 M615 D619 A624 F690 A691 R692 T693	K377-T617 HydrophobicContact CB-CG2 4.25Å; M615-T617 HydrophobicContact CG-CG2 4.22Å; M615-T617 HydrophobicContact SD-CG2 4.24Å; T617-D619 VanDerWaalsContact C-N 3.29Å; T617-D619 HydrophobicContact CG2-CB 3.99Å; T617-D619 PolarHBondContact OG1-N 3.26Å; T617-A624 HydrophobicContact CG2-CB 3.75Å; T617-F690 PolarHBondContact N-O 3.35Å; T617-A691 CarbonylContact O-C 3.53Å; T617-A691 WeakPolarHBondContact O-CA 3.46Å; T617-R692 PolarHBondContact O-N 3.36Å; T617-R692 VanDerWaalsContact O-N 3.12Å; T617-T693 VanDerWaalsContact C-OG1 3.23Å; T617-T693 PolarHBondContact O-N 2.81Å; T617-T693 PolarHBondContact O-OG1 2.86Å
618	G	86.8	Confident	92.9	Very high	3 Å²	3	24.2 Å²	24.2	3%	0.031	14%	0.139	C	C	.	.	S	Bend	trans	-85.3	-1.1	168.7	0	0	0	0	0	113.5	T219 R692	T219-G618 VanDerWaalsContact O-CA 3.25Å; T219-G618 WeakPolarHBondContact O-CA 3.21Å; G618-R692 WeakPolarHBondContact O-CD 3.22Å
619	D	84.9	Confident	92.8	Very high	19 Å²	19	25 Å²	25	10%	0.102	13%	0.132	C	C	.	.	S	Bend	trans	-71.4	162.5	179.5	-157.6	-5.4	0	0	0	112.6	E221 K377 T617 T623 R692	E221-D619 HydrophobicContact CG-CB 4.44Å; E221-D619 VanDerWaalsContact OE1-CA 3.31Å; E221-D619 WeakPolarHBondContact OE1-CA 3.41Å; K377-D619 HydrophobicContact CD-CB 4.2Å; K377-D619 WeakPolarHBondContact CD-OD2 3.41Å; K377-D619 WeakPolarHBondContact CE-OD2 3.39Å; K377-D619 IonicContact NZ-OD2 3.26Å; K377-D619 PolarHBondContact NZ-OD2 3.45Å; T617-D619 VanDerWaalsContact C-N 3.29Å; T617-D619 HydrophobicContact CG2-CB 3.99Å; T617-D619 PolarHBondContact OG1-N 3.26Å; D619-T623 WeakPolarHBondContact OD2-CG2 3.48Å; D619-R692 PolarHBondContact O-N 2.88Å
620	H	84.8	Confident	92.6	Very high	93 Å²	93	27.5 Å²	27.5	43%	0.431	16%	0.157	S	C	.	.			trans	-62.1	142.6	178.6	-166.4	-94.5	0	0	0	111.9	E221 I622 T623 A624	E221-H620 PolarHBondContact OE1-N 3.45Å; H620-I622 VanDerWaalsContact C-N 3.29Å; H620-I622 PolarHBondContact ND1-N 3.06Å; H620-I622 PolarHBondContact O-N 3.38Å; H620-I622 VanDerWaalsContact O-N 3.17Å; H620-T623 PolarHBondContact O-N 3.27Å; H620-A624 WeakPolarHBondContact O-CB 3.41Å; H620-A624 PolarHBondContact O-N 3.27Å
621	P	89	Confident	92.5	Very high	28 Å²	28	26.6 Å²	26.6	18%	0.182	15%	0.148	C	C	.	.	H	α-helix	trans	-54.9	-37.1	-176.1	-30.2	36.2	0	0	0	115.6	K625 V664 A691	P621-K625 WeakPolarHBondContact O-CB 3.14Å; P621-K625 PolarHBondContact O-N 2.97Å; P621-V664 HydrophobicContact CB-CG1 4.09Å; P621-A691 HydrophobicContact CB-CB 4.13Å; P621-A691 HydrophobicContact CG-CB 3.92Å
622	I	88.3	Confident	92.4	Very high	92 Å²	92	27.7 Å²	27.7	47%	0.472	16%	0.16	S	C	.	.	H	α-helix	trans	-63.9	-52.6	-178.7	-59.3	174.6	0	0	0	110.1	H620 K625 A626	H620-I622 VanDerWaalsContact C-N 3.29Å; H620-I622 PolarHBondContact ND1-N 3.06Å; H620-I622 PolarHBondContact O-N 3.38Å; H620-I622 VanDerWaalsContact O-N 3.17Å; I622-K625 PolarHBondContact O-N 2.85Å; I622-A626 PolarHBondContact O-N 3.24Å
623	T	87.5	Confident	92.3	Very high	30 Å²	30	25.2 Å²	25.2	18%	0.184	15%	0.15	C	C	.	.	H	α-helix	trans	-62.3	-45.1	177.7	-44.2	0	0	0	0	111.1	D619 H620 K625 A626 I627	D619-T623 WeakPolarHBondContact OD2-CG2 3.48Å; H620-T623 PolarHBondContact O-N 3.27Å; T623-K625 PolarHBondContact O-N 3.17Å; T623-A626 PolarHBondContact O-N 3.18Å; T623-I627 HydrophobicContact CG2-CG1 4.44Å; T623-I627 WeakPolarHBondContact O-CG1 3.27Å; T623-I627 PolarHBondContact O-N 2.94Å
624	A	91.3	Very high	92.3	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-44.3	178.5	0	0	0	0	0	111.8	M615 T617 H620 A628 V689 A691	M615-A624 HydrophobicContact SD-CB 4.11Å; T617-A624 HydrophobicContact CG2-CB 3.75Å; H620-A624 WeakPolarHBondContact O-CB 3.41Å; H620-A624 PolarHBondContact O-N 3.27Å; A624-A628 WeakPolarHBondContact O-CB 3.26Å; A624-A628 PolarHBondContact O-N 3.26Å; A624-V689 HydrophobicContact CB-CG1 3.85Å; A624-A691 HydrophobicContact CB-CB 3.97Å
625	K	93.1	Very high	92	Very high	36 Å²	36	26.7 Å²	26.7	16%	0.157	16%	0.16	C	C	.	.	H	α-helix	trans	-64.1	-43	177.1	-174.1	178.5	-174.6	169.7	0	111.9	P621 I622 T623 A628 K629 I634 T640 D643 V664	P621-K625 WeakPolarHBondContact O-CB 3.14Å; P621-K625 PolarHBondContact O-N 2.97Å; I622-K625 PolarHBondContact O-N 2.85Å; T623-K625 PolarHBondContact O-N 3.17Å; K625-A628 PolarHBondContact O-N 3.13Å; K625-K629 PolarHBondContact O-N 3.09Å; K625-I634 HydrophobicContact CG-CD1 4.22Å; K625-T640 PolarHBondContact NZ-OG1 3.32Å; K625-D643 WeakPolarHBondContact CE-OD2 3.31Å; K625-D643 IonicContact NZ-OD1 3.13Å; K625-D643 PolarHBondContact NZ-OD1 3.4Å; K625-D643 IonicContact NZ-OD2 3.04Å; K625-D643 PolarHBondContact NZ-OD2 3.3Å; K625-V664 HydrophobicContact CB-CG2 4.22Å; K625-V664 HydrophobicContact CD-CG2 4.09Å; K625-V664 HydrophobicContact CG-CG2 4.1Å
626	A	91	Very high	91.5	Very high	22 Å²	22	36.2 Å²	36.2	18%	0.182	21%	0.205	C	C	.	.	H	α-helix	trans	-64.7	-47.8	178.7	0	0	0	0	0	112	L548 I622 T623 A628 K629 G630	L548-A626 WeakPolarHBondContact O-CB 3.47Å; I622-A626 PolarHBondContact O-N 3.24Å; T623-A626 PolarHBondContact O-N 3.18Å; A626-A628 VanDerWaalsContact C-N 3.33Å; A626-A628 PolarHBondContact O-N 3.4Å; A626-K629 PolarHBondContact O-N 3.27Å; A626-G630 PolarHBondContact O-N 3.45Å
627	I	93.1	Very high	90.9	Very high	6 Å²	6	39.6 Å²	39.6	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-62.9	-41	175.4	-64.2	-63.5	0	0	0	110.9	K377 T382 I592 P595 M615 T623 K629 G630 V631	K377-I627 HydrophobicContact CD-CB 4.47Å; K377-I627 HydrophobicContact CD-CG1 4.27Å; K377-I627 HydrophobicContact CD-CG2 4.49Å; K377-I627 HydrophobicContact CG-CB 4.34Å; K377-I627 HydrophobicContact CG-CG2 3.88Å; T382-I627 HydrophobicContact CG2-CD1 4.15Å; T382-I627 HydrophobicContact CG2-CG1 4.39Å; T382-I627 HydrophobicContact CG2-CG2 3.85Å; I592-I627 HydrophobicContact CD1-CD1 3.75Å; I592-I627 HydrophobicContact CD1-CG1 4.35Å; I592-I627 HydrophobicContact CG1-CD1 4.39Å; P595-I627 HydrophobicContact CG-CD1 4.42Å; M615-I627 HydrophobicContact CE-CB 4.39Å; M615-I627 HydrophobicContact CE-CG2 3.9Å; T623-I627 HydrophobicContact CG2-CG1 4.44Å; T623-I627 WeakPolarHBondContact O-CG1 3.27Å; T623-I627 PolarHBondContact O-N 2.94Å; I627-K629 VanDerWaalsContact C-N 3.28Å; I627-K629 PolarHBondContact O-N 2.75Å; I627-G630 PolarHBondContact O-N 3.39Å; I627-G630 VanDerWaalsContact O-N 3.1Å; I627-V631 HydrophobicContact CG2-CG1 4.26Å; I627-V631 WeakPolarHBondContact O-CG2 3.49Å; I627-V631 PolarHBondContact O-N 2.9Å
628	A	95.3	Very high	90.9	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.5	-36.2	177.8	0	0	0	0	0	112.7	M615 A624 K625 A626 G632 I633 I634 V689	M615-A628 HydrophobicContact CE-CB 4Å; M615-A628 HydrophobicContact SD-CB 4.25Å; A624-A628 WeakPolarHBondContact O-CB 3.26Å; A624-A628 PolarHBondContact O-N 3.26Å; K625-A628 PolarHBondContact O-N 3.13Å; A626-A628 VanDerWaalsContact C-N 3.33Å; A626-A628 PolarHBondContact O-N 3.4Å; A628-G632 PolarHBondContact O-N 2.94Å; A628-I633 HydrophobicContact CB-CB 4.15Å; A628-I633 HydrophobicContact CB-CG2 4.32Å; A628-I633 PolarHBondContact O-N 3.4Å; A628-I634 HydrophobicContact CB-CD1 4.02Å; A628-I634 HydrophobicContact CB-CG1 4.07Å; A628-I634 PolarHBondContact O-N 2.76Å; A628-V689 HydrophobicContact CB-CG2 3.52Å
629	K	93.4	Very high	91.1	Very high	102 Å²	102	43.9 Å²	43.9	44%	0.443	26%	0.261	S	S	.	.	H	α-helix	trans	-66.9	-49.1	169.9	-73.9	-179.1	175.9	-174.7	0	111.2	K625 A626 I627 V631 G632 I634	K625-K629 PolarHBondContact O-N 3.09Å; A626-K629 PolarHBondContact O-N 3.27Å; I627-K629 VanDerWaalsContact C-N 3.28Å; I627-K629 PolarHBondContact O-N 2.75Å; K629-V631 VanDerWaalsContact C-N 3.27Å; K629-V631 PolarHBondContact O-N 3.14Å; K629-G632 PolarHBondContact O-N 3.4Å; K629-G632 VanDerWaalsContact O-N 3.1Å; K629-I634 HydrophobicContact CG-CB 3.94Å; K629-I634 HydrophobicContact CG-CG2 3.94Å
630	G	91	Very high	91.5	Very high	52 Å²	52	43 Å²	43	54%	0.536	26%	0.257	S	S	.	.	H	α-helix	trans	-60.5	-29.6	-178.4	0	0	0	0	0	115.1	A626 I627	A626-G630 PolarHBondContact O-N 3.45Å; I627-G630 PolarHBondContact O-N 3.39Å; I627-G630 VanDerWaalsContact O-N 3.1Å
631	V	94.9	Very high	91.7	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-3.1	177.2	-54.3	0	0	0	0	114.1	P595 V599 V603 I627 K629 I633	P595-V631 HydrophobicContact CB-CG1 3.75Å; P595-V631 HydrophobicContact CG-CG1 3.68Å; V599-V631 HydrophobicContact CG1-CB 3.92Å; V599-V631 HydrophobicContact CG1-CG1 3.66Å; V603-V631 WeakPolarHBondContact CB-O 3.3Å; V603-V631 WeakPolarHBondContact CG1-O 3.41Å; I627-V631 HydrophobicContact CG2-CG1 4.26Å; I627-V631 WeakPolarHBondContact O-CG2 3.49Å; I627-V631 PolarHBondContact O-N 2.9Å; K629-V631 VanDerWaalsContact C-N 3.27Å; K629-V631 PolarHBondContact O-N 3.14Å; V631-I633 HydrophobicContact CG2-CB 4.37Å; V631-I633 HydrophobicContact CG2-CD1 3.75Å; V631-I633 HydrophobicContact CG2-CG1 3.82Å
632	G	94.9	Very high	91.7	Very high	27 Å²	27	42.1 Å²	42.1	28%	0.278	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	20.8	179	0	0	0	0	0	115.8	R607 A628 K629	R607-G632 WeakPolarHBondContact CD-O 3.46Å; R607-G632 PolarHBondContact NH1-O 2.85Å; A628-G632 PolarHBondContact O-N 2.94Å; K629-G632 PolarHBondContact O-N 3.4Å; K629-G632 VanDerWaalsContact O-N 3.1Å
633	I	96.5	Very high	91.8	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	24%	0.24	C	C	.	.	S	Bend	trans	-71.8	-45.8	166.9	-71.5	168.6	0	0	0	109.5	L381 V603 R607 V613 M615 A628 V631 E687 V689	L381-I633 HydrophobicContact CD1-CD1 3.92Å; V603-I633 HydrophobicContact CG1-CG1 4.08Å; R607-I633 PolarHBondContact NH1-O 2.89Å; V613-I633 HydrophobicContact CB-CG1 4.32Å; V613-I633 HydrophobicContact CG1-CD1 4.03Å; V613-I633 HydrophobicContact CG1-CG1 3.81Å; M615-I633 HydrophobicContact CB-CD1 4.03Å; M615-I633 HydrophobicContact CE-CD1 3.93Å; A628-I633 HydrophobicContact CB-CB 4.15Å; A628-I633 HydrophobicContact CB-CG2 4.32Å; A628-I633 PolarHBondContact O-N 3.4Å; V631-I633 HydrophobicContact CG2-CB 4.37Å; V631-I633 HydrophobicContact CG2-CD1 3.75Å; V631-I633 HydrophobicContact CG2-CG1 3.82Å; I633-E687 WeakPolarHBondContact O-CB 3.49Å; I633-E687 VanDerWaalsContact O-CG 3.29Å; I633-E687 WeakPolarHBondContact O-CG 3.05Å; I633-V689 HydrophobicContact CG2-CG2 4.44Å
634	I	96.1	Very high	92	Very high	2 Å²	2	39 Å²	39	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-97.4	122.3	167.3	-62.4	175.6	0	0	0	107.3	K625 A628 K629 A662 E687 V689	K625-I634 HydrophobicContact CG-CD1 4.22Å; A628-I634 HydrophobicContact CB-CD1 4.02Å; A628-I634 HydrophobicContact CB-CG1 4.07Å; A628-I634 PolarHBondContact O-N 2.76Å; K629-I634 HydrophobicContact CG-CB 3.94Å; K629-I634 HydrophobicContact CG-CG2 3.94Å; I634-A662 HydrophobicContact CG2-CB 4.28Å; I634-E687 WeakPolarHBondContact CA-OE2 3.37Å; I634-E687 HydrophobicContact CG1-CB 4.44Å; I634-V689 HydrophobicContact CD1-CG2 3.83Å; I634-V689 HydrophobicContact CG1-CG2 4.19Å
635	S	93.4	Very high	92	Very high	39 Å²	39	39.3 Å²	39.3	27%	0.273	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-75.2	149.9	179.3	-52.8	0	0	0	0	111.2	R607 G637 N638 E687	R607-S635 PolarHBondContact NH1-OG 3.26Å; S635-G637 PolarHBondContact O-N 3.45Å; S635-N638 PolarHBondContact O-N 2.94Å; S635-E687 WeakPolarHBondContact CB-OE1 3.32Å; S635-E687 VanDerWaalsContact N-CD 3.34Å; S635-E687 PolarHBondContact N-OE1 3.46Å; S635-E687 PolarHBondContact N-OE2 3.5Å; S635-E687 PolarHBondContact OG-OE1 3.43Å
636	E	87.1	Confident	91.8	Very high	200 Å²	200	41.3 Å²	41.3	94%	0.935	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	132.2	168.8	-70.2	-175.4	173.6	0	0	110.9
637	G	84.5	Confident	91.9	Very high	77 Å²	77	47.5 Å²	47.5	79%	0.794	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	-10.2	-178.9	0	0	0	0	0	115.9	S635	S635-G637 PolarHBondContact O-N 3.45Å
638	N	91.8	Very high	91.8	Very high	36 Å²	36	51.8 Å²	51.8	19%	0.193	30%	0.301	C	S	.	.			trans	-82	134.7	169	-74.8	-22.3	0	0	0	110.5	S635 A662 E687	S635-N638 PolarHBondContact O-N 2.94Å; N638-A662 HydrophobicContact CB-CB 4.48Å; N638-E687 WeakPolarHBondContact CB-OE2 3.18Å; N638-E687 PolarHBondContact ND2-OE1 2.99Å; N638-E687 PolarHBondContact ND2-OE2 2.94Å
639	E	90.9	Very high	91.7	Very high	57 Å²	57	59 Å²	59	27%	0.266	34%	0.34	S	S	.	.			trans	-110.2	148.8	-176.4	-62.3	-176.2	124.6	0	0	110.9	D643 I644 R647	E639-D643 HydrophobicContact CB-CB 3.92Å; E639-D643 HydrophobicContact CG-CB 4.36Å; E639-I644 HydrophobicContact CB-CD1 4.34Å; E639-I644 HydrophobicContact CB-CG1 3.73Å; E639-R647 WeakPolarHBondContact OE1-CD 3.28Å; E639-R647 IonicContact OE1-CZ 3.96Å; E639-R647 IonicContact OE1-NE 2.68Å; E639-R647 PolarHBondContact OE1-NE 3.36Å; E639-R647 IonicContact OE1-NH2 2.93Å; E639-R647 IonicContact OE2-CZ 2.69Å; E639-R647 IonicContact OE2-NE 3.51Å; E639-R647 PolarHBondContact OE2-NE 3.23Å; E639-R647 IonicContact OE2-NH2 3.32Å; E639-R647 PolarHBondContact OE2-NH2 2.95Å
640	T	93	Very high	91.7	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.006	33%	0.332	C	S	.	.			trans	-86.4	169	165.1	73.9	0	0	0	0	111	K625 E642 D643 I644 A662 V664	K625-T640 PolarHBondContact NZ-OG1 3.32Å; T640-E642 WeakPolarHBondContact CB-OE2 3.42Å; T640-E642 PolarHBondContact O-N 3.09Å; T640-E642 PolarHBondContact OG1-OE2 2.86Å; T640-D643 PolarHBondContact N-OD2 3.2Å; T640-D643 VanDerWaalsContact N-OD2 3.08Å; T640-D643 PolarHBondContact O-N 3.41Å; T640-D643 VanDerWaalsContact O-N 3.1Å; T640-D643 PolarHBondContact OG1-N 2.92Å; T640-D643 PolarHBondContact OG1-OD2 2.87Å; T640-I644 WeakPolarHBondContact O-CG1 3.22Å; T640-I644 PolarHBondContact O-N 3.13Å; T640-A662 WeakPolarHBondContact CA-O 3.47Å; T640-A662 HydrophobicContact CG2-CB 4.21Å; T640-V664 HydrophobicContact CG2-CG2 4.14Å
641	V	89.8	Confident	91.7	Very high	19 Å²	19	57.2 Å²	57.2	12%	0.115	33%	0.329	C	S	.	.	H	α-helix	trans	-58.8	-37.3	177	-173.8	0	0	0	0	110.7	A645 I652 V655 P657 A660	V641-A645 WeakPolarHBondContact O-CB 3.43Å; V641-A645 PolarHBondContact O-N 3.29Å; V641-I652 HydrophobicContact CG1-CG2 3.84Å; V641-V655 HydrophobicContact CG1-CB 3.8Å; V641-V655 HydrophobicContact CG1-CG1 3.79Å; V641-P657 HydrophobicContact CG2-CB 4.4Å; V641-A660 HydrophobicContact CG2-CB 3.72Å
642	E	89.6	Confident	91.5	Very high	83 Å²	83	61.9 Å²	61.9	39%	0.388	35%	0.352	S	S	.	.	H	α-helix	trans	-67.5	-38.7	176	-53.2	73.9	-158.3	0	0	112.1	T640 A645 A646 I652	T640-E642 WeakPolarHBondContact CB-OE2 3.42Å; T640-E642 PolarHBondContact O-N 3.09Å; T640-E642 PolarHBondContact OG1-OE2 2.86Å; E642-A645 PolarHBondContact O-N 2.91Å; E642-A646 WeakPolarHBondContact O-CB 3.27Å; E642-A646 PolarHBondContact O-N 3.31Å; E642-I652 HydrophobicContact CG-CD1 4.26Å
643	D	90.3	Very high	91.2	Very high	44 Å²	44	65.8 Å²	65.8	24%	0.235	38%	0.376	C	S	.	.	H	α-helix	trans	-65.8	-43.6	177.1	-66.4	-30	0	0	0	111	K625 E639 T640 A646 R647	K625-D643 WeakPolarHBondContact CE-OD2 3.31Å; K625-D643 IonicContact NZ-OD1 3.13Å; K625-D643 PolarHBondContact NZ-OD1 3.4Å; K625-D643 IonicContact NZ-OD2 3.04Å; K625-D643 PolarHBondContact NZ-OD2 3.3Å; E639-D643 HydrophobicContact CB-CB 3.92Å; E639-D643 HydrophobicContact CG-CB 4.36Å; T640-D643 PolarHBondContact N-OD2 3.2Å; T640-D643 VanDerWaalsContact N-OD2 3.08Å; T640-D643 PolarHBondContact O-N 3.41Å; T640-D643 VanDerWaalsContact O-N 3.1Å; T640-D643 PolarHBondContact OG1-N 2.92Å; T640-D643 PolarHBondContact OG1-OD2 2.87Å; D643-A646 PolarHBondContact O-N 3.01Å; D643-R647 VanDerWaalsContact O-CB 3.3Å; D643-R647 WeakPolarHBondContact O-CB 3.44Å; D643-R647 PolarHBondContact O-N 2.84Å
644	I	90.6	Very high	90.9	Very high	13 Å²	13	72.2 Å²	72.2	7%	0.067	41%	0.405	C	S	.	.	H	α-helix	trans	-63.5	-44.4	177.3	-62.9	169.3	0	0	0	110.1	E639 T640 R647 L648 V655 D659 A660	E639-I644 HydrophobicContact CB-CD1 4.34Å; E639-I644 HydrophobicContact CB-CG1 3.73Å; T640-I644 WeakPolarHBondContact O-CG1 3.22Å; T640-I644 PolarHBondContact O-N 3.13Å; I644-R647 PolarHBondContact O-N 3.45Å; I644-L648 HydrophobicContact CG2-CD1 3.7Å; I644-L648 HydrophobicContact CG2-CG 4.31Å; I644-L648 WeakPolarHBondContact O-CB 3.39Å; I644-L648 WeakPolarHBondContact O-CG 3.38Å; I644-L648 PolarHBondContact O-N 3.38Å; I644-V655 HydrophobicContact CB-CG1 3.93Å; I644-V655 HydrophobicContact CB-CG2 4.46Å; I644-V655 HydrophobicContact CD1-CG1 4.17Å; I644-V655 HydrophobicContact CG2-CG1 3.67Å; I644-V655 HydrophobicContact CG2-CG2 4.04Å; I644-D659 HydrophobicContact CD1-CB 4.37Å; I644-A660 HydrophobicContact CD1-CB 3.96Å
645	A	91.4	Very high	90.6	Very high	6 Å²	6	72.8 Å²	72.8	5%	0.05	41%	0.409	C	S	.	.	H	α-helix	trans	-60.4	-46.7	177.5	0	0	0	0	0	111.6	V641 E642 N649 V650 I652 V655	V641-A645 WeakPolarHBondContact O-CB 3.43Å; V641-A645 PolarHBondContact O-N 3.29Å; E642-A645 PolarHBondContact O-N 2.91Å; A645-N649 WeakPolarHBondContact O-CA 3.47Å; A645-N649 PolarHBondContact O-N 3.16Å; A645-V650 WeakPolarHBondContact CB-O 3.29Å; A645-V650 PolarHBondContact O-N 3.06Å; A645-I652 HydrophobicContact CB-CG1 3.9Å; A645-V655 HydrophobicContact CB-CG2 3.89Å
646	A	89.4	Confident	90.4	Very high	78 Å²	78	74.7 Å²	74.7	65%	0.645	42%	0.416	S	S	*	.	H	α-helix	trans	-64.6	-43.1	178	0	0	0	0	0	112.2	E642 D643 N649	E642-A646 WeakPolarHBondContact O-CB 3.27Å; E642-A646 PolarHBondContact O-N 3.31Å; D643-A646 PolarHBondContact O-N 3.01Å; A646-N649 PolarHBondContact O-N 2.89Å
647	R	92.3	Very high	90.5	Very high	152 Å²	152	68.1 Å²	68.1	57%	0.574	39%	0.391	S	S	*	.	H	α-helix	trans	-66.1	-41.1	178.7	-179.8	172.6	61.3	84.6	-2.8	112.8	E639 D643 I644 N649	E639-R647 WeakPolarHBondContact OE1-CD 3.28Å; E639-R647 IonicContact OE1-CZ 3.96Å; E639-R647 IonicContact OE1-NE 2.68Å; E639-R647 PolarHBondContact OE1-NE 3.36Å; E639-R647 IonicContact OE1-NH2 2.93Å; E639-R647 IonicContact OE2-CZ 2.69Å; E639-R647 IonicContact OE2-NE 3.51Å; E639-R647 PolarHBondContact OE2-NE 3.23Å; E639-R647 IonicContact OE2-NH2 3.32Å; E639-R647 PolarHBondContact OE2-NH2 2.95Å; D643-R647 VanDerWaalsContact O-CB 3.3Å; D643-R647 WeakPolarHBondContact O-CB 3.44Å; D643-R647 PolarHBondContact O-N 2.84Å; I644-R647 PolarHBondContact O-N 3.45Å; R647-N649 VanDerWaalsContact C-N 3.3Å
648	L	91.9	Very high	90.7	Very high	96 Å²	96	70.4 Å²	70.4	50%	0.503	38%	0.376	S	S	.	.	H	α-helix	trans	-83.7	-9.3	178.7	-65.1	178.8	0	0	0	112.9	I644 V650	I644-L648 HydrophobicContact CG2-CD1 3.7Å; I644-L648 HydrophobicContact CG2-CG 4.31Å; I644-L648 WeakPolarHBondContact O-CB 3.39Å; I644-L648 WeakPolarHBondContact O-CG 3.38Å; I644-L648 PolarHBondContact O-N 3.38Å; L648-V650 VanDerWaalsContact C-N 3.29Å; L648-V650 HydrophobicContact CB-CG1 4.26Å; L648-V650 HydrophobicContact CB-CG2 3.92Å; L648-V650 PolarHBondContact O-N 3.02Å
649	N	92.7	Very high	90.6	Very high	151 Å²	151	74 Å²	74	81%	0.807	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	43.3	-174.6	-164.2	42.7	0	0	0	112.5	A645 A646 R647	A645-N649 WeakPolarHBondContact O-CA 3.47Å; A645-N649 PolarHBondContact O-N 3.16Å; A646-N649 PolarHBondContact O-N 2.89Å; R647-N649 VanDerWaalsContact C-N 3.3Å
650	V	93.3	Very high	90.7	Very high	48 Å²	48	71.4 Å²	71.4	29%	0.291	38%	0.383	S	S	.	.			trans	-119.2	157.4	177.8	-61.6	0	0	0	0	110.8	A645 L648 V655	A645-V650 WeakPolarHBondContact CB-O 3.29Å; A645-V650 PolarHBondContact O-N 3.06Å; L648-V650 VanDerWaalsContact C-N 3.29Å; L648-V650 HydrophobicContact CB-CG1 4.26Å; L648-V650 HydrophobicContact CB-CG2 3.92Å; L648-V650 PolarHBondContact O-N 3.02Å; V650-V655 HydrophobicContact CG2-CG2 3.98Å
651	P	92.1	Very high	90.6	Very high	70 Å²	70	77.4 Å²	77.4	46%	0.455	41%	0.409	S	S	.	.			trans	-60.2	145	172.4	-21.8	33.3	0	0	0	112.6	S653 E654	P651-S653 PolarHBondContact O-N 3.1Å; P651-S653 VanDerWaalsContact O-N 3.09Å; P651-E654 PolarHBondContact O-N 2.93Å
652	I	88.9	Confident	90.9	Very high	98 Å²	98	76.5 Å²	76.5	50%	0.503	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-53.5	-34.3	179.1	-63.1	170.5	0	0	0	111.9	V641 E642 A645 E654 V655	V641-I652 HydrophobicContact CG1-CG2 3.84Å; E642-I652 HydrophobicContact CG-CD1 4.26Å; A645-I652 HydrophobicContact CB-CG1 3.9Å; I652-E654 PolarHBondContact O-N 3.36Å; I652-V655 PolarHBondContact O-N 2.78Å
653	S	90.1	Very high	91.2	Very high	110 Å²	110	73.1 Å²	73.1	77%	0.769	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-65	-19.6	179.5	53.4	0	0	0	0	114.9	P651	P651-S653 PolarHBondContact O-N 3.1Å; P651-S653 VanDerWaalsContact O-N 3.09Å
654	E	89.6	Confident	91.4	Very high	136 Å²	136	72.1 Å²	72.1	64%	0.636	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-90	-13.1	179.6	-64.4	-177.1	-163.1	0	0	112.5	P651 I652	P651-E654 PolarHBondContact O-N 2.93Å; I652-E654 PolarHBondContact O-N 3.36Å
655	V	90.4	Very high	91.6	Very high	14 Å²	14	71.9 Å²	71.9	9%	0.085	38%	0.384	C	S	.	.	S	Bend	trans	-82.4	128.7	178.1	-178.8	0	0	0	0	109.4	V641 I644 A645 V650 I652 P657	V641-V655 HydrophobicContact CG1-CB 3.8Å; V641-V655 HydrophobicContact CG1-CG1 3.79Å; I644-V655 HydrophobicContact CB-CG1 3.93Å; I644-V655 HydrophobicContact CB-CG2 4.46Å; I644-V655 HydrophobicContact CD1-CG1 4.17Å; I644-V655 HydrophobicContact CG2-CG1 3.67Å; I644-V655 HydrophobicContact CG2-CG2 4.04Å; A645-V655 HydrophobicContact CB-CG2 3.89Å; V650-V655 HydrophobicContact CG2-CG2 3.98Å; I652-V655 PolarHBondContact O-N 2.78Å; V655-P657 VanDerWaalsContact O-CD 3.26Å; V655-P657 WeakPolarHBondContact O-CD 3.15Å
656	N	89.5	Confident	91.7	Very high	79 Å²	79	74.8 Å²	74.8	42%	0.422	40%	0.396	S	S	.	.			trans	-70.9	119.3	171.9	-179.8	1.4	0	0	0	109.6	R658 D659	N656-R658 PolarHBondContact O-N 3.18Å; N656-R658 WeakPolarHBondContact OD1-CB 3.47Å; N656-R658 WeakPolarHBondContact OD1-CG 3.45Å; N656-R658 PolarHBondContact OD1-N 3.43Å; N656-R658 VanDerWaalsContact OD1-N 3.1Å; N656-D659 PolarHBondContact O-N 2.7Å
657	P	88.3	Confident	91.6	Very high	63 Å²	63	71.3 Å²	71.3	41%	0.409	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-17.5	-179.2	-24.6	35.2	0	0	0	114	V641 V655 D659	V641-P657 HydrophobicContact CG2-CB 4.4Å; V655-P657 VanDerWaalsContact O-CD 3.26Å; V655-P657 WeakPolarHBondContact O-CD 3.15Å; P657-D659 VanDerWaalsContact C-N 3.33Å
658	R	88.7	Confident	91.3	Very high	125 Å²	125	66 Å²	66	47%	0.472	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-18.4	179.6	-55.9	-63.5	149.2	137.3	-9.2	114.2	N656 A660 H684	N656-R658 PolarHBondContact O-N 3.18Å; N656-R658 WeakPolarHBondContact OD1-CB 3.47Å; N656-R658 WeakPolarHBondContact OD1-CG 3.45Å; N656-R658 PolarHBondContact OD1-N 3.43Å; N656-R658 VanDerWaalsContact OD1-N 3.1Å; R658-A660 VanDerWaalsContact C-N 3.31Å; R658-H684 VanDerWaalsContact CZ-CG 3.41Å; R658-H684 PolarHBondContact NH1-CD2 3.39Å; R658-H684 PolarHBondContact NH1-CE1 2.88Å; R658-H684 PolarHBondContact NH1-ND1 2.96Å; R658-H684 PolarHBondContact NH1-NE2 2.96Å; R658-H684 PolarHBondContact NH2-CD2 3.14Å
659	D	89.8	Confident	91.1	Very high	111 Å²	111	66.9 Å²	66.9	59%	0.594	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-24.5	176.7	-60.6	-20.2	0	0	0	110.6	I644 N656 P657	I644-D659 HydrophobicContact CD1-CB 4.37Å; N656-D659 PolarHBondContact O-N 2.7Å; P657-D659 VanDerWaalsContact C-N 3.33Å
660	A	92.1	Very high	90.9	Very high	2 Å²	2	60.3 Å²	60.3	2%	0.017	33%	0.326	C	S	.	.			trans	-83.9	116.8	174.2	0	0	0	0	0	111.2	V641 I644 R658 H685	V641-A660 HydrophobicContact CG2-CB 3.72Å; I644-A660 HydrophobicContact CD1-CB 3.96Å; R658-A660 VanDerWaalsContact C-N 3.31Å; A660-H685 PolarHBondContact O-CD2 3.11Å
661	K	92.4	Very high	90.4	Very high	127 Å²	127	64.2 Å²	64.2	55%	0.552	34%	0.339	S	S	*	.	S	Bend	trans	-80.2	-24.3	174.2	-69.8	-175.8	-178.7	172.9	0	113	A686 E687	K661-A686 PolarHBondContact O-N 3.49Å; K661-E687 PolarHBondContact O-N 3.49Å
662	A	95.1	Very high	90.2	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.2	-179.8	0	0	0	0	0	110.7	I634 N638 T640 E687	I634-A662 HydrophobicContact CG2-CB 4.28Å; N638-A662 HydrophobicContact CB-CB 4.48Å; T640-A662 WeakPolarHBondContact CA-O 3.47Å; T640-A662 HydrophobicContact CG2-CB 4.21Å; A662-E687 CarbonylContact C-O 3.56Å; A662-E687 VanDerWaalsContact CA-O 3.23Å; A662-E687 WeakPolarHBondContact CA-O 3.32Å; A662-E687 HydrophobicContact CB-CB 4.01Å
663	C	95.2	Very high	90.2	Very high	12 Å²	12	65.2 Å²	65.2	8%	0.081	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	149	170.3	66.2	0	0	0	0	111.8	H685 E687 V689	C663-H685 HydrophobicContact CB-CB 4.43Å; C663-H685 VanDerWaalsContact SG-CG 3.52Å; C663-E687 PolarHBondContact N-O 2.77Å; C663-V689 PolarHBondContact O-N 3.23Å
664	V	95.6	Very high	90.2	Very high	23 Å²	23	63.2 Å²	63.2	14%	0.139	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.1	171.6	-179	0	0	0	0	107	P621 K625 T640 V689	P621-V664 HydrophobicContact CB-CG1 4.09Å; K625-V664 HydrophobicContact CB-CG2 4.22Å; K625-V664 HydrophobicContact CD-CG2 4.09Å; K625-V664 HydrophobicContact CG-CG2 4.1Å; T640-V664 HydrophobicContact CG2-CG2 4.14Å; V664-V689 CarbonylContact C-O 3.56Å; V664-V689 WeakPolarHBondContact CA-O 3.41Å; V664-V689 HydrophobicContact CG1-CG1 4.48Å; V664-V689 HydrophobicContact CG2-CB 4.25Å
665	V	95.2	Very high	90.2	Very high	9 Å²	9	59.8 Å²	59.8	6%	0.055	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.2	-177.2	-178.2	0	0	0	0	108.9	L670 I681 V689 F690 A691	V665-L670 HydrophobicContact CG1-CB 4.43Å; V665-I681 HydrophobicContact CG2-CD1 4.39Å; V665-I681 HydrophobicContact CG2-CG2 4.18Å; V665-V689 PolarHBondContact N-O 3.38Å; V665-F690 HydrophobicContact CB-CD1 3.64Å; V665-F690 HydrophobicContact CB-CE1 3.79Å; V665-F690 HydrophobicContact CG1-CD1 3.93Å; V665-F690 HydrophobicContact CG1-CE1 3.94Å; V665-F690 HydrophobicContact CG2-CD1 4.31Å; V665-F690 HydrophobicContact CG2-CE1 4.02Å; V665-F690 WeakPolarHBondContact O-CA 3.45Å; V665-A691 PolarHBondContact O-N 3.5Å
666	H	92.5	Very high	90.3	Very high	67 Å²	67	64.7 Å²	64.7	31%	0.31	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	140.7	178.8	-173.7	-102.3	0	0	0	111.2	G668 E669 L670 A691 R692	H666-G668 PolarHBondContact ND1-N 2.77Å; H666-G668 PolarHBondContact O-N 2.72Å; H666-E669 HydrophobicContact CB-CG 4.26Å; H666-E669 WeakPolarHBondContact O-CB 3.13Å; H666-E669 PolarHBondContact O-N 2.95Å; H666-L670 PolarHBondContact O-N 3.01Å; H666-A691 CarbonylContact C-O 3.56Å; H666-R692 WeakPolarHBondContact NE2-CB 3.41Å
667	G	87.9	Confident	90.4	Very high	4 Å²	4	65.1 Å²	65.1	4%	0.041	34%	0.335	C	S	.	.	H	α-helix	trans	-58.5	-29.9	179.8	0	0	0	0	0	114.1	L670 K671 A691 R692 Q697	G667-L670 PolarHBondContact O-N 3.24Å; G667-K671 PolarHBondContact O-N 3.4Å; G667-A691 PolarHBondContact N-O 3.32Å; G667-R692 WeakPolarHBondContact CA-O 3.39Å; G667-Q697 PolarHBondContact O-NE2 3.39Å
668	G	85.8	Confident	90.7	Very high	40 Å²	40	62.3 Å²	62.3	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-64	-38.3	172.8	0	0	0	0	0	113.2	H666	H666-G668 PolarHBondContact ND1-N 2.77Å; H666-G668 PolarHBondContact O-N 2.72Å
669	E	88.1	Confident	91	Very high	116 Å²	116	57.6 Å²	57.6	54%	0.542	30%	0.3	S	S	.	.	H	α-helix	trans	-73.9	-41.4	176.2	-61.3	171.4	172	0	0	110.6	H666 K671 D672 L673	H666-E669 HydrophobicContact CB-CG 4.26Å; H666-E669 WeakPolarHBondContact O-CB 3.13Å; H666-E669 PolarHBondContact O-N 2.95Å; E669-K671 PolarHBondContact O-N 3.18Å; E669-K671 VanDerWaalsContact O-N 3.13Å; E669-D672 PolarHBondContact O-N 3.05Å; E669-L673 WeakPolarHBondContact O-CG 3.46Å; E669-L673 PolarHBondContact O-N 3.43Å
670	L	88.8	Confident	91.1	Very high	12 Å²	12	57.5 Å²	57.5	6%	0.063	30%	0.296	C	S	.	.	H	α-helix	trans	-57.6	-29.6	179.9	-174.7	63.7	0	0	0	112.9	V665 H666 G667 D672 L673 L678 F690 T693 Q697 I701	V665-L670 HydrophobicContact CG1-CB 4.43Å; H666-L670 PolarHBondContact O-N 3.01Å; G667-L670 PolarHBondContact O-N 3.24Å; L670-D672 VanDerWaalsContact C-N 3.29Å; L670-D672 PolarHBondContact O-N 3.15Å; L670-L673 HydrophobicContact CD1-CD1 4.15Å; L670-L673 PolarHBondContact O-N 2.9Å; L670-L678 HydrophobicContact CD1-CD1 3.98Å; L670-F690 HydrophobicContact CD1-CE1 4.16Å; L670-F690 HydrophobicContact CD2-CD1 4.21Å; L670-T693 HydrophobicContact CD2-CG2 4.33Å; L670-Q697 HydrophobicContact CD2-CB 3.84Å; L670-Q697 HydrophobicContact CD2-CG 3.99Å; L670-I701 HydrophobicContact CD2-CD1 3.84Å; L670-I701 HydrophobicContact CD2-CG1 4.06Å
671	K	82.6	Confident	91.2	Very high	130 Å²	130	58.9 Å²	58.9	57%	0.565	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-34.7	176.7	-178.5	173	178.3	160.3	0	113	E38 G667 E669	E38-K671 WeakPolarHBondContact OE2-CE 3.27Å; E38-K671 IonicContact OE2-NZ 3.95Å; E38-K671 PolarHBondContact OE2-NZ 2.89Å; G667-K671 PolarHBondContact O-N 3.4Å; E669-K671 PolarHBondContact O-N 3.18Å; E669-K671 VanDerWaalsContact O-N 3.13Å
672	D	86.8	Confident	91.4	Very high	135 Å²	135	53.4 Å²	53.4	72%	0.722	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-7.3	-176.3	-63.5	-31.3	0	0	0	112.6	E669 L670	E669-D672 PolarHBondContact O-N 3.05Å; L670-D672 VanDerWaalsContact C-N 3.29Å; L670-D672 PolarHBondContact O-N 3.15Å
673	L	88.9	Confident	91.2	Very high	54 Å²	54	59.3 Å²	59.3	28%	0.283	31%	0.306	S	S	.	.			trans	-77.4	140.4	178.9	-65.4	-177.9	0	0	0	112.3	E669 L670 Q677 I681	E669-L673 WeakPolarHBondContact O-CG 3.46Å; E669-L673 PolarHBondContact O-N 3.43Å; L670-L673 HydrophobicContact CD1-CD1 4.15Å; L670-L673 PolarHBondContact O-N 2.9Å; L673-Q677 HydrophobicContact CB-CB 4.43Å; L673-Q677 HydrophobicContact CD2-CB 4.19Å; L673-I681 HydrophobicContact CD1-CD1 3.63Å
674	T	91.6	Very high	91.1	Very high	69 Å²	69	63 Å²	63	42%	0.423	32%	0.321	S	S	.	.			trans	-77.2	163.9	167.3	82.2	0	0	0	0	111.3	E676 Q677 L678	T674-E676 VanDerWaalsContact CB-OE2 3.31Å; T674-E676 WeakPolarHBondContact CB-OE2 3.29Å; T674-E676 PolarHBondContact O-N 3.49Å; T674-E676 PolarHBondContact OG1-N 3.18Å; T674-E676 PolarHBondContact OG1-OE2 3.13Å; T674-Q677 PolarHBondContact O-N 3.29Å; T674-Q677 PolarHBondContact OG1-N 2.63Å; T674-L678 PolarHBondContact O-N 2.92Å; T674-L678 VanDerWaalsContact O-N 3.1Å
675	T	89.5	Confident	91	Very high	64 Å²	64	62.7 Å²	62.7	39%	0.393	32%	0.318	S	S	.	.	H	α-helix	trans	-58.5	-34.3	177	35.4	0	0	0	0	113.1	D679 R707	T675-D679 WeakPolarHBondContact O-CB 3.46Å; T675-D679 PolarHBondContact O-N 3.38Å; T675-R707 PolarHBondContact O-NH2 3.4Å
676	E	91.5	Very high	90.9	Very high	116 Å²	116	65 Å²	65	54%	0.542	34%	0.339	S	S	.	.	H	α-helix	trans	-72.6	-38.5	179.8	-58.4	67.4	-139.5	0	0	111.4	T674 D679 E680	T674-E676 VanDerWaalsContact CB-OE2 3.31Å; T674-E676 WeakPolarHBondContact CB-OE2 3.29Å; T674-E676 PolarHBondContact O-N 3.49Å; T674-E676 PolarHBondContact OG1-N 3.18Å; T674-E676 PolarHBondContact OG1-OE2 3.13Å; E676-D679 WeakPolarHBondContact O-CB 3.41Å; E676-D679 PolarHBondContact O-N 2.78Å; E676-E680 PolarHBondContact O-N 2.98Å
677	Q	92.9	Very high	91.1	Very high	89 Å²	89	62 Å²	62	42%	0.416	33%	0.325	S	S	.	.	H	α-helix	trans	-66.7	-41.4	176.3	-67.8	175.1	-44.4	0	0	111.3	L673 T674 D679 E680 I681	L673-Q677 HydrophobicContact CB-CB 4.43Å; L673-Q677 HydrophobicContact CD2-CB 4.19Å; T674-Q677 PolarHBondContact O-N 3.29Å; T674-Q677 PolarHBondContact OG1-N 2.63Å; Q677-D679 VanDerWaalsContact C-N 3.3Å; Q677-D679 PolarHBondContact O-N 2.73Å; Q677-E680 WeakPolarHBondContact O-CB 3.37Å; Q677-E680 PolarHBondContact O-N 2.66Å; Q677-I681 WeakPolarHBondContact O-CG1 3.28Å; Q677-I681 PolarHBondContact O-N 3.22Å
678	L	94	Very high	91.5	Very high	4 Å²	4	61.8 Å²	61.8	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-60	-42.7	171.9	175.4	62.4	0	0	0	111.2	L670 T674 E680 I681 L682 F690 I700	L670-L678 HydrophobicContact CD1-CD1 3.98Å; T674-L678 PolarHBondContact O-N 2.92Å; T674-L678 VanDerWaalsContact O-N 3.1Å; L678-E680 VanDerWaalsContact C-N 3.3Å; L678-E680 PolarHBondContact O-N 3.13Å; L678-I681 PolarHBondContact O-N 3.36Å; L678-L682 HydrophobicContact CD1-CD1 4.27Å; L678-L682 HydrophobicContact CD1-CG 4.18Å; L678-L682 HydrophobicContact CG-CD1 4.07Å; L678-L682 HydrophobicContact CG-CG 4.41Å; L678-L682 VanDerWaalsContact O-CG 3.3Å; L678-L682 WeakPolarHBondContact O-CG 3.41Å; L678-L682 PolarHBondContact O-N 3.45Å; L678-F690 HydrophobicContact CD1-CE1 3.93Å; L678-F690 HydrophobicContact CD1-CZ 3.7Å; L678-I700 HydrophobicContact CD2-CG2 3.92Å
679	D	93.8	Very high	92.1	Very high	25 Å²	25	59.9 Å²	59.9	13%	0.134	30%	0.303	C	S	.	.	H	α-helix	trans	-61.7	-36.2	177	-74.9	0.6	0	0	0	112.2	T675 E676 Q677 K683 R707 Q708	T675-D679 WeakPolarHBondContact O-CB 3.46Å; T675-D679 PolarHBondContact O-N 3.38Å; E676-D679 WeakPolarHBondContact O-CB 3.41Å; E676-D679 PolarHBondContact O-N 2.78Å; Q677-D679 VanDerWaalsContact C-N 3.3Å; Q677-D679 PolarHBondContact O-N 2.73Å; D679-K683 WeakPolarHBondContact O-CB 3.5Å; D679-K683 VanDerWaalsContact O-CG 3.24Å; D679-K683 WeakPolarHBondContact O-CG 3.2Å; D679-K683 PolarHBondContact O-N 2.79Å; D679-K683 VanDerWaalsContact O-N 3.08Å; D679-R707 IonicContact OD1-CZ 3.99Å; D679-R707 IonicContact OD1-NE 3.65Å; D679-R707 PolarHBondContact OD1-NE 3.08Å; D679-R707 IonicContact OD1-NH2 2.59Å; D679-R707 PolarHBondContact OD1-NH2 3.32Å; D679-R707 IonicContact OD2-NE 3.5Å; D679-Q708 VanDerWaalsContact CB-NE2 3.27Å; D679-Q708 PolarHBondContact OD1-NE2 2.89Å; D679-Q708 PolarHBondContact OD2-NE2 3.43Å
680	E	93	Very high	92.5	Very high	109 Å²	109	54.4 Å²	54.4	51%	0.509	28%	0.277	S	S	.	.	H	α-helix	trans	-64.8	-45.3	172.6	-73.4	-169.9	177.3	0	0	112.2	E676 Q677 L678 L682 K683 H684	E676-E680 PolarHBondContact O-N 2.98Å; Q677-E680 WeakPolarHBondContact O-CB 3.37Å; Q677-E680 PolarHBondContact O-N 2.66Å; L678-E680 VanDerWaalsContact C-N 3.3Å; L678-E680 PolarHBondContact O-N 3.13Å; E680-L682 VanDerWaalsContact C-N 3.31Å; E680-L682 PolarHBondContact O-N 3.39Å; E680-K683 PolarHBondContact O-N 3.21Å; E680-H684 WeakPolarHBondContact O-CB 3.42Å; E680-H684 PolarHBondContact O-CD2 3.07Å; E680-H684 PolarHBondContact O-N 3.43Å
681	I	94.4	Very high	92.7	Very high	32 Å²	32	53.8 Å²	53.8	16%	0.164	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-48.1	176.7	-67	170.1	0	0	0	110	V665 L673 Q677 L678 K683 H684 H685	V665-I681 HydrophobicContact CG2-CD1 4.39Å; V665-I681 HydrophobicContact CG2-CG2 4.18Å; L673-I681 HydrophobicContact CD1-CD1 3.63Å; Q677-I681 WeakPolarHBondContact O-CG1 3.28Å; Q677-I681 PolarHBondContact O-N 3.22Å; L678-I681 PolarHBondContact O-N 3.36Å; I681-K683 VanDerWaalsContact C-N 3.31Å; I681-K683 PolarHBondContact O-N 3.2Å; I681-H684 PolarHBondContact O-N 3.4Å; I681-H685 PolarHBondContact O-N 2.81Å; I681-H685 PolarHBondContact O-ND1 2.98Å; I681-H685 VanDerWaalsContact O-ND1 3.15Å
682	L	95.3	Very high	93	Very high	11 Å²	11	50.7 Å²	50.7	6%	0.058	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-31.4	-178.6	-68.4	175.2	0	0	0	113.3	K612 I614 L678 E680 I688 F690	K612-L682 PolarHBondContact NZ-O 2.99Å; I614-L682 HydrophobicContact CD1-CD2 4.03Å; L678-L682 HydrophobicContact CD1-CD1 4.27Å; L678-L682 HydrophobicContact CD1-CG 4.18Å; L678-L682 HydrophobicContact CG-CD1 4.07Å; L678-L682 HydrophobicContact CG-CG 4.41Å; L678-L682 VanDerWaalsContact O-CG 3.3Å; L678-L682 WeakPolarHBondContact O-CG 3.41Å; L678-L682 PolarHBondContact O-N 3.45Å; E680-L682 VanDerWaalsContact C-N 3.31Å; E680-L682 PolarHBondContact O-N 3.39Å; L682-I688 HydrophobicContact CD2-CD1 3.9Å; L682-F690 HydrophobicContact CD2-CE2 4.11Å; L682-F690 HydrophobicContact CD2-CZ 4.15Å
683	K	92.8	Very high	93.2	Very high	125 Å²	125	44.7 Å²	44.7	54%	0.543	23%	0.227	S	C	.	.	H	α-helix	trans	-78.9	-38	178.7	-77.1	170.8	-173.3	171.5	0	113.3	D679 E680 I681 Q708	D679-K683 WeakPolarHBondContact O-CB 3.5Å; D679-K683 VanDerWaalsContact O-CG 3.24Å; D679-K683 WeakPolarHBondContact O-CG 3.2Å; D679-K683 PolarHBondContact O-N 2.79Å; D679-K683 VanDerWaalsContact O-N 3.08Å; E680-K683 PolarHBondContact O-N 3.21Å; I681-K683 VanDerWaalsContact C-N 3.31Å; I681-K683 PolarHBondContact O-N 3.2Å; K683-Q708 VanDerWaalsContact CE-CD 3.4Å
684	H	92.6	Very high	93.2	Very high	88 Å²	88	42.6 Å²	42.6	41%	0.407	22%	0.217	S	C	.	.	H	α-helix	trans	-97.3	-24	-165.2	-64.4	-55.2	0	0	0	114.3	R658 E680 I681	R658-H684 VanDerWaalsContact CZ-CG 3.41Å; R658-H684 PolarHBondContact NH1-CD2 3.39Å; R658-H684 PolarHBondContact NH1-CE1 2.88Å; R658-H684 PolarHBondContact NH1-ND1 2.96Å; R658-H684 PolarHBondContact NH1-NE2 2.96Å; R658-H684 PolarHBondContact NH2-CD2 3.14Å; E680-H684 WeakPolarHBondContact O-CB 3.42Å; E680-H684 PolarHBondContact O-CD2 3.07Å; E680-H684 PolarHBondContact O-N 3.43Å; I681-H684 PolarHBondContact O-N 3.4Å
685	H	93.6	Very high	92.9	Very high	17 Å²	17	39.6 Å²	39.6	8%	0.079	20%	0.199	C	C	.	.			trans	-102.8	129.5	175.2	-53.7	89.4	0	0	0	109.5	K612 A660 C663 I681 I688	K612-H685 PolarHBondContact NZ-O 3.29Å; A660-H685 PolarHBondContact O-CD2 3.11Å; C663-H685 HydrophobicContact CB-CB 4.43Å; C663-H685 VanDerWaalsContact SG-CG 3.52Å; I681-H685 PolarHBondContact O-N 2.81Å; I681-H685 PolarHBondContact O-ND1 2.98Å; I681-H685 VanDerWaalsContact O-ND1 3.15Å; H685-I688 HydrophobicContact CB-CD1 4.26Å; H685-I688 HydrophobicContact CB-CG1 3.91Å; H685-I688 WeakPolarHBondContact O-CD1 3.32Å
686	A	92.1	Very high	92.7	Very high	59 Å²	59	37.1 Å²	37.1	49%	0.488	18%	0.183	S	C	.	.	S	Bend	trans	-82.6	-32.7	179.7	0	0	0	0	0	111.6	K612 K661	K612-A686 VanDerWaalsContact CE-O 3.3Å; K612-A686 WeakPolarHBondContact CE-O 3.49Å; K661-A686 PolarHBondContact O-N 3.49Å
687	E	96.5	Very high	92.7	Very high	3 Å²	3	32 Å²	32	1%	0.014	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	112.9	-175.9	-59.8	-178.9	167.5	0	0	108.3	R607 I633 I634 S635 N638 K661 A662 C663	R607-E687 IonicContact CZ-OE1 2.83Å; R607-E687 IonicContact NH1-OE1 2.72Å; R607-E687 PolarHBondContact NH1-OE1 3.49Å; R607-E687 IonicContact NH2-OE1 3.21Å; R607-E687 PolarHBondContact NH2-OE1 3.21Å; I633-E687 WeakPolarHBondContact O-CB 3.49Å; I633-E687 VanDerWaalsContact O-CG 3.29Å; I633-E687 WeakPolarHBondContact O-CG 3.05Å; I634-E687 WeakPolarHBondContact CA-OE2 3.37Å; I634-E687 HydrophobicContact CG1-CB 4.44Å; S635-E687 WeakPolarHBondContact CB-OE1 3.32Å; S635-E687 VanDerWaalsContact N-CD 3.34Å; S635-E687 PolarHBondContact N-OE1 3.46Å; S635-E687 PolarHBondContact N-OE2 3.5Å; S635-E687 PolarHBondContact OG-OE1 3.43Å; N638-E687 WeakPolarHBondContact CB-OE2 3.18Å; N638-E687 PolarHBondContact ND2-OE1 2.99Å; N638-E687 PolarHBondContact ND2-OE2 2.94Å; K661-E687 PolarHBondContact O-N 3.49Å; A662-E687 CarbonylContact C-O 3.56Å; A662-E687 VanDerWaalsContact CA-O 3.23Å; A662-E687 WeakPolarHBondContact CA-O 3.32Å; A662-E687 HydrophobicContact CB-CB 4.01Å; C663-E687 PolarHBondContact N-O 2.77Å
688	I	97.2	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131.7	-169	-52.6	178.3	0	0	0	109.6	I614 M615 L682 H685 F690	I614-I688 HydrophobicContact CD1-CD1 4.43Å; I614-I688 HydrophobicContact CG1-CB 4.37Å; I614-I688 HydrophobicContact CG2-CB 4.16Å; I614-I688 HydrophobicContact CG2-CG2 4.28Å; M615-I688 PolarHBondContact N-O 3.41Å; M615-I688 VanDerWaalsContact N-O 3.14Å; L682-I688 HydrophobicContact CD2-CD1 3.9Å; H685-I688 HydrophobicContact CB-CD1 4.26Å; H685-I688 HydrophobicContact CB-CG1 3.91Å; H685-I688 WeakPolarHBondContact O-CD1 3.32Å; I688-F690 HydrophobicContact CG2-CD2 3.79Å; I688-F690 HydrophobicContact CG2-CE2 3.36Å; I688-F690 HydrophobicContact CG2-CZ 3.79Å
689	V	97.6	Very high	92.7	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	117.2	171.8	179	0	0	0	0	108.4	M615 A624 A628 I633 I634 C663 V664 V665	M615-V689 HydrophobicContact CB-CB 4.46Å; M615-V689 HydrophobicContact CB-CG1 4.18Å; M615-V689 HydrophobicContact CB-CG2 4.21Å; M615-V689 HydrophobicContact CG-CG1 4.34Å; M615-V689 HydrophobicContact SD-CG1 4.03Å; A624-V689 HydrophobicContact CB-CG1 3.85Å; A628-V689 HydrophobicContact CB-CG2 3.52Å; I633-V689 HydrophobicContact CG2-CG2 4.44Å; I634-V689 HydrophobicContact CD1-CG2 3.83Å; I634-V689 HydrophobicContact CG1-CG2 4.19Å; C663-V689 PolarHBondContact O-N 3.23Å; V664-V689 CarbonylContact C-O 3.56Å; V664-V689 WeakPolarHBondContact CA-O 3.41Å; V664-V689 HydrophobicContact CG1-CG1 4.48Å; V664-V689 HydrophobicContact CG2-CB 4.25Å; V665-V689 PolarHBondContact N-O 3.38Å
690	F	97	Very high	92.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	117.7	166.8	-66.1	-83.1	0	0	0	108.7	I614 M615 V616 T617 V665 L670 L678 L682 I688 T693 I701	I614-F690 HydrophobicContact CG2-CD2 3.77Å; I614-F690 HydrophobicContact CG2-CE2 3.95Å; M615-F690 PolarHBondContact O-N 2.95Å; V616-F690 HydrophobicContact CG1-CB 4.49Å; V616-F690 HydrophobicContact CG2-CD2 4.3Å; T617-F690 PolarHBondContact N-O 3.35Å; V665-F690 HydrophobicContact CB-CD1 3.64Å; V665-F690 HydrophobicContact CB-CE1 3.79Å; V665-F690 HydrophobicContact CG1-CD1 3.93Å; V665-F690 HydrophobicContact CG1-CE1 3.94Å; V665-F690 HydrophobicContact CG2-CD1 4.31Å; V665-F690 HydrophobicContact CG2-CE1 4.02Å; V665-F690 WeakPolarHBondContact O-CA 3.45Å; L670-F690 HydrophobicContact CD1-CE1 4.16Å; L670-F690 HydrophobicContact CD2-CD1 4.21Å; L678-F690 HydrophobicContact CD1-CE1 3.93Å; L678-F690 HydrophobicContact CD1-CZ 3.7Å; L682-F690 HydrophobicContact CD2-CE2 4.11Å; L682-F690 HydrophobicContact CD2-CZ 4.15Å; I688-F690 HydrophobicContact CG2-CD2 3.79Å; I688-F690 HydrophobicContact CG2-CE2 3.36Å; I688-F690 HydrophobicContact CG2-CZ 3.79Å; F690-T693 HydrophobicContact CB-CG2 3.67Å; F690-I701 HydrophobicContact CB-CD1 3.75Å; F690-I701 HydrophobicContact CD1-CD1 3.83Å; F690-I701 HydrophobicContact CD1-CG1 4.3Å; F690-I701 HydrophobicContact CD2-CD1 3.77Å; F690-I701 HydrophobicContact CD2-CG1 4.21Å; F690-I701 HydrophobicContact CD2-CG2 3.96Å; F690-I701 HydrophobicContact CE1-CD1 4.38Å; F690-I701 HydrophobicContact CE1-CG1 4.35Å; F690-I701 HydrophobicContact CE2-CD1 4.3Å; F690-I701 HydrophobicContact CE2-CG1 4.23Å; F690-I701 HydrophobicContact CE2-CG2 3.75Å; F690-I701 HydrophobicContact CG-CD1 3.51Å; F690-I701 HydrophobicContact CG-CG1 4.24Å; F690-I701 HydrophobicContact CZ-CG1 4.31Å; F690-I701 HydrophobicContact CZ-CG2 4.44Å
691	A	93.2	Very high	92.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	157.4	-177.4	0	0	0	0	0	110.8	T617 P621 A624 V665 H666 G667 T693	T617-A691 CarbonylContact O-C 3.53Å; T617-A691 WeakPolarHBondContact O-CA 3.46Å; P621-A691 HydrophobicContact CB-CB 4.13Å; P621-A691 HydrophobicContact CG-CB 3.92Å; A624-A691 HydrophobicContact CB-CB 3.97Å; V665-A691 PolarHBondContact O-N 3.5Å; H666-A691 CarbonylContact C-O 3.56Å; G667-A691 PolarHBondContact N-O 3.32Å; A691-T693 PolarHBondContact O-N 3.36Å
692	R	89.6	Confident	92.8	Very high	65 Å²	65	22.9 Å²	22.9	25%	0.245	12%	0.116	C	C	.	.	S	Bend	trans	52.6	35.8	-176.4	-152.9	65.2	176.9	172.7	1.6	113.9	E221 E238 T617 G618 D619 H666 G667	E221-R692 IonicContact OE1-CZ 3.86Å; E221-R692 IonicContact OE1-NH1 2.88Å; E221-R692 PolarHBondContact OE1-NH1 3.22Å; E221-R692 IonicContact OE2-NH1 2.82Å; E221-R692 PolarHBondContact OE2-NH1 3.34Å; E238-R692 IonicContact OE1-CZ 2.67Å; E238-R692 IonicContact OE1-NE 2.92Å; E238-R692 PolarHBondContact OE1-NE 3.41Å; E238-R692 IonicContact OE1-NH2 3.63Å; E238-R692 PolarHBondContact OE1-NH2 3.04Å; T617-R692 PolarHBondContact O-N 3.36Å; T617-R692 VanDerWaalsContact O-N 3.12Å; G618-R692 WeakPolarHBondContact O-CD 3.22Å; D619-R692 PolarHBondContact O-N 2.88Å; H666-R692 WeakPolarHBondContact NE2-CB 3.41Å; G667-R692 WeakPolarHBondContact CA-O 3.39Å
693	T	90.8	Very high	92.8	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	12%	0.121	C	C	.	.			trans	-82.8	142.2	-178.1	56.1	0	0	0	0	113.3	V616 T617 L670 F690 A691 Q697 I701	V616-T693 HydrophobicContact CG1-CG2 4.5Å; T617-T693 VanDerWaalsContact C-OG1 3.23Å; T617-T693 PolarHBondContact O-N 2.81Å; T617-T693 PolarHBondContact O-OG1 2.86Å; L670-T693 HydrophobicContact CD2-CG2 4.33Å; F690-T693 HydrophobicContact CB-CG2 3.67Å; A691-T693 PolarHBondContact O-N 3.36Å; T693-Q697 VanDerWaalsContact CA-OE1 3.31Å; T693-I701 HydrophobicContact CG2-CD1 4.09Å
694	S	88	Confident	92.9	Very high	10 Å²	10	18.1 Å²	18.1	7%	0.07	10%	0.095	C	C	.	.			trans	-80.5	158.9	169.1	68	0	0	0	0	111.9	Q696 Q697 K698	S694-Q696 PolarHBondContact O-N 3.45Å; S694-Q697 WeakPolarHBondContact O-CA 3.47Å; S694-Q697 WeakPolarHBondContact O-CB 3.4Å; S694-Q697 PolarHBondContact O-N 3.13Å; S694-Q697 VanDerWaalsContact OG-CG 3.28Å; S694-Q697 WeakPolarHBondContact OG-CG 3.4Å; S694-Q697 PolarHBondContact OG-N 3.2Å; S694-K698 WeakPolarHBondContact O-CG 3.46Å; S694-K698 PolarHBondContact O-N 2.96Å
695	P	86.3	Confident	93.1	Very high	6 Å²	6	14.2 Å²	14.2	4%	0.039	8%	0.078	C	C	.	.	H	α-helix	trans	-51.3	-38.9	175.5	-27.3	33.9	0	0	0	113.7	I270 K698 L699 N720	I270-P695 HydrophobicContact CD1-CB 4.2Å; I270-P695 HydrophobicContact CD1-CG 3.76Å; I270-P695 HydrophobicContact CG1-CB 4.31Å; I270-P695 HydrophobicContact CG1-CG 4.39Å; I270-P695 HydrophobicContact CG2-CB 4.45Å; P695-K698 WeakPolarHBondContact O-CB 2.96Å; P695-K698 PolarHBondContact O-N 3.16Å; P695-L699 PolarHBondContact O-N 2.75Å; P695-N720 WeakPolarHBondContact CA-O 3.26Å; P695-N720 HydrophobicContact CB-CB 4.32Å; P695-N720 WeakPolarHBondContact CB-O 3.31Å; P695-N720 HydrophobicContact CG-CB 3.75Å
696	Q	85.6	Confident	93.1	Very high	11 Å²	11	15.3 Å²	15.3	5%	0.051	8%	0.083	C	C	.	.	H	α-helix	trans	-68.4	-39.1	177.2	-64.4	83.9	-12.7	0	0	111.7	K36 L273 S694 K698 L699 I700	K36-Q696 WeakPolarHBondContact O-CB 3.44Å; K36-Q696 WeakPolarHBondContact O-CG 3.37Å; L273-Q696 HydrophobicContact CD2-CG 4.35Å; S694-Q696 PolarHBondContact O-N 3.45Å; Q696-K698 VanDerWaalsContact C-N 3.33Å; Q696-L699 WeakPolarHBondContact O-CB 3.43Å; Q696-L699 PolarHBondContact O-N 3.41Å; Q696-I700 WeakPolarHBondContact O-CG1 3.35Å; Q696-I700 PolarHBondContact O-N 3.44Å
697	Q	90.8	Very high	93.2	Very high	10 Å²	10	17.3 Å²	17.3	5%	0.047	8%	0.078	C	C	.	.	H	α-helix	trans	-65.6	-37	175	-74.8	173.6	-16.4	0	0	111.9	G667 L670 T693 S694 L699 I700 I701	G667-Q697 PolarHBondContact O-NE2 3.39Å; L670-Q697 HydrophobicContact CD2-CB 3.84Å; L670-Q697 HydrophobicContact CD2-CG 3.99Å; T693-Q697 VanDerWaalsContact CA-OE1 3.31Å; S694-Q697 WeakPolarHBondContact O-CA 3.47Å; S694-Q697 WeakPolarHBondContact O-CB 3.4Å; S694-Q697 PolarHBondContact O-N 3.13Å; S694-Q697 VanDerWaalsContact OG-CG 3.28Å; S694-Q697 WeakPolarHBondContact OG-CG 3.4Å; S694-Q697 PolarHBondContact OG-N 3.2Å; Q697-L699 VanDerWaalsContact C-N 3.27Å; Q697-L699 PolarHBondContact O-N 2.59Å; Q697-I700 PolarHBondContact O-N 3.37Å; Q697-I700 VanDerWaalsContact O-N 3.1Å; Q697-I701 WeakPolarHBondContact O-CD1 3.42Å; Q697-I701 VanDerWaalsContact O-CG1 3.29Å; Q697-I701 WeakPolarHBondContact O-CG1 3.27Å; Q697-I701 PolarHBondContact O-N 3.03Å
698	K	93.9	Very high	93	Very high	4 Å²	4	20.5 Å²	20.5	2%	0.017	9%	0.093	C	C	.	.	H	α-helix	trans	-56.3	-44.7	172.9	-54.6	-152.1	178.5	-167.8	0	111.4	D376 V616 S694 P695 Q696 I701 V702 N720 D721 A724	D376-K698 IonicContact OD1-NZ 3.52Å; D376-K698 PolarHBondContact OD1-NZ 3.41Å; V616-K698 HydrophobicContact CG1-CB 3.97Å; V616-K698 HydrophobicContact CG1-CD 3.89Å; V616-K698 HydrophobicContact CG1-CG 3.64Å; V616-K698 WeakPolarHBondContact O-CE 3.27Å; V616-K698 PolarHBondContact O-NZ 3.19Å; S694-K698 WeakPolarHBondContact O-CG 3.46Å; S694-K698 PolarHBondContact O-N 2.96Å; P695-K698 WeakPolarHBondContact O-CB 2.96Å; P695-K698 PolarHBondContact O-N 3.16Å; Q696-K698 VanDerWaalsContact C-N 3.33Å; K698-I701 PolarHBondContact O-N 3.37Å; K698-V702 WeakPolarHBondContact O-CG2 3.16Å; K698-V702 PolarHBondContact O-N 3.32Å; K698-V702 VanDerWaalsContact O-N 3.13Å; K698-N720 PolarHBondContact NZ-ND2 3.42Å; K698-D721 WeakPolarHBondContact CD-OD1 3.3Å; K698-D721 IonicContact NZ-OD1 2.93Å; K698-D721 PolarHBondContact NZ-OD1 3.1Å; K698-A724 HydrophobicContact CB-CB 3.91Å
699	L	92.4	Very high	92.7	Very high	1 Å²	1	22 Å²	22	1%	0.005	11%	0.108	C	C	.	.	H	α-helix	trans	-60.2	-45.5	173.9	172.1	66.1	0	0	0	112.3	K36 L273 L277 P695 Q696 Q697 I701 V702 E703 P723 K727	K36-L699 HydrophobicContact CD-CD2 4.49Å; K36-L699 HydrophobicContact CG-CD2 4.23Å; L273-L699 HydrophobicContact CD2-CD2 4.2Å; L277-L699 HydrophobicContact CD1-CD1 4Å; L277-L699 HydrophobicContact CD1-CD2 3.94Å; L277-L699 HydrophobicContact CD2-CD2 4.4Å; P695-L699 PolarHBondContact O-N 2.75Å; Q696-L699 WeakPolarHBondContact O-CB 3.43Å; Q696-L699 PolarHBondContact O-N 3.41Å; Q697-L699 VanDerWaalsContact C-N 3.27Å; Q697-L699 PolarHBondContact O-N 2.59Å; L699-I701 VanDerWaalsContact C-N 3.32Å; L699-I701 PolarHBondContact O-N 3.06Å; L699-V702 PolarHBondContact O-N 3.42Å; L699-E703 HydrophobicContact CD1-CG 4.34Å; L699-E703 WeakPolarHBondContact O-CG 3.39Å; L699-E703 PolarHBondContact O-N 3.12Å; L699-P723 HydrophobicContact CB-CB 4.24Å; L699-P723 HydrophobicContact CD2-CB 4.38Å; L699-K727 HydrophobicContact CD1-CB 3.24Å; L699-K727 HydrophobicContact CD1-CD 4.39Å; L699-K727 HydrophobicContact CD1-CG 3.45Å; L699-K727 VanDerWaalsContact CD1-CG 3.45Å
700	I	92.1	Very high	92.6	Very high	61 Å²	61	22.9 Å²	22.9	31%	0.313	12%	0.116	S	C	.	.	H	α-helix	trans	-61.8	-40	179.5	-68.4	165.7	0	0	0	111.4	L678 Q696 Q697 E703 G704	L678-I700 HydrophobicContact CD2-CG2 3.92Å; Q696-I700 WeakPolarHBondContact O-CG1 3.35Å; Q696-I700 PolarHBondContact O-N 3.44Å; Q697-I700 PolarHBondContact O-N 3.37Å; Q697-I700 VanDerWaalsContact O-N 3.1Å; I700-E703 PolarHBondContact O-N 3.18Å; I700-G704 PolarHBondContact O-N 3.48Å
701	I	95.8	Very high	92.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.2	-44.8	176.9	-67.3	159.5	0	0	0	110.7	V616 L670 F690 T693 Q697 K698 L699 G704 C705	V616-I701 HydrophobicContact CG1-CD1 3.67Å; V616-I701 HydrophobicContact CG2-CD1 4.38Å; V616-I701 HydrophobicContact CG2-CG2 4.01Å; L670-I701 HydrophobicContact CD2-CD1 3.84Å; L670-I701 HydrophobicContact CD2-CG1 4.06Å; F690-I701 HydrophobicContact CB-CD1 3.75Å; F690-I701 HydrophobicContact CD1-CD1 3.83Å; F690-I701 HydrophobicContact CD1-CG1 4.3Å; F690-I701 HydrophobicContact CD2-CD1 3.77Å; F690-I701 HydrophobicContact CD2-CG1 4.21Å; F690-I701 HydrophobicContact CD2-CG2 3.96Å; F690-I701 HydrophobicContact CE1-CD1 4.38Å; F690-I701 HydrophobicContact CE1-CG1 4.35Å; F690-I701 HydrophobicContact CE2-CD1 4.3Å; F690-I701 HydrophobicContact CE2-CG1 4.23Å; F690-I701 HydrophobicContact CE2-CG2 3.75Å; F690-I701 HydrophobicContact CG-CD1 3.51Å; F690-I701 HydrophobicContact CG-CG1 4.24Å; F690-I701 HydrophobicContact CZ-CG1 4.31Å; F690-I701 HydrophobicContact CZ-CG2 4.44Å; T693-I701 HydrophobicContact CG2-CD1 4.09Å; Q697-I701 WeakPolarHBondContact O-CD1 3.42Å; Q697-I701 VanDerWaalsContact O-CG1 3.29Å; Q697-I701 WeakPolarHBondContact O-CG1 3.27Å; Q697-I701 PolarHBondContact O-N 3.03Å; K698-I701 PolarHBondContact O-N 3.37Å; L699-I701 VanDerWaalsContact C-N 3.32Å; L699-I701 PolarHBondContact O-N 3.06Å; I701-G704 PolarHBondContact O-N 3.25Å; I701-C705 PolarHBondContact O-N 2.68Å; I701-C705 PolarHBondContact O-SG 3.39Å; I701-C705 VanDerWaalsContact O-SG 3.37Å
702	V	96.1	Very high	92.9	Very high	1 Å²	1	23.7 Å²	23.7	1%	0.006	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-46.7	176	172.3	0	0	0	0	110.9	C374 K698 L699 G704 C705 Q706 V712 V714 A724 K727	C374-V702 HydrophobicContact CB-CG2 4.47Å; K698-V702 WeakPolarHBondContact O-CG2 3.16Å; K698-V702 PolarHBondContact O-N 3.32Å; K698-V702 VanDerWaalsContact O-N 3.13Å; L699-V702 PolarHBondContact O-N 3.42Å; V702-G704 VanDerWaalsContact C-N 3.27Å; V702-G704 PolarHBondContact O-N 3.22Å; V702-C705 PolarHBondContact O-N 3.31Å; V702-Q706 WeakPolarHBondContact O-CG 3.44Å; V702-Q706 PolarHBondContact O-N 3.35Å; V702-V712 HydrophobicContact CG1-CG1 4.18Å; V702-V714 HydrophobicContact CG1-CG2 4.36Å; V702-V714 HydrophobicContact CG2-CG2 3.47Å; V702-V714 VanDerWaalsContact CG2-CG2 3.47Å; V702-A724 HydrophobicContact CG2-CB 4.04Å; V702-K727 HydrophobicContact CG1-CG 4.4Å
703	E	94.3	Very high	93.3	Very high	36 Å²	36	20.7 Å²	20.7	17%	0.168	11%	0.109	C	C	.	.	H	α-helix	trans	-60.5	-37.4	175.5	-71.7	-175	152.8	0	0	111.6	K36 L699 I700 Q706 R707 K727	K36-E703 IonicContact NZ-OE1 3.41Å; K36-E703 PolarHBondContact NZ-OE1 3.37Å; K36-E703 IonicContact NZ-OE2 2.76Å; K36-E703 PolarHBondContact NZ-OE2 3.28Å; L699-E703 HydrophobicContact CD1-CG 4.34Å; L699-E703 WeakPolarHBondContact O-CG 3.39Å; L699-E703 PolarHBondContact O-N 3.12Å; I700-E703 PolarHBondContact O-N 3.18Å; E703-Q706 PolarHBondContact O-N 2.87Å; E703-R707 WeakPolarHBondContact O-CG 3.33Å; E703-R707 PolarHBondContact O-N 2.83Å; E703-K727 HydrophobicContact CG-CD 4.44Å; E703-K727 HydrophobicContact CG-CG 3.94Å; E703-K727 WeakPolarHBondContact OE1-CE 3.3Å
704	G	95.1	Very high	93.6	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-61.9	-43.6	174.4	0	0	0	0	0	113.3	I700 I701 V702 R707	I700-G704 PolarHBondContact O-N 3.48Å; I701-G704 PolarHBondContact O-N 3.25Å; V702-G704 VanDerWaalsContact C-N 3.27Å; V702-G704 PolarHBondContact O-N 3.22Å; G704-R707 PolarHBondContact O-N 3.01Å
705	C	96.5	Very high	94	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.041	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-44.8	175	-65.1	0	0	0	0	111.5	I701 V702 R707 Q708 A710 V712	I701-C705 PolarHBondContact O-N 2.68Å; I701-C705 PolarHBondContact O-SG 3.39Å; I701-C705 VanDerWaalsContact O-SG 3.37Å; V702-C705 PolarHBondContact O-N 3.31Å; C705-R707 VanDerWaalsContact C-N 3.33Å; C705-R707 PolarHBondContact O-N 2.88Å; C705-Q708 WeakPolarHBondContact O-CB 3.48Å; C705-Q708 PolarHBondContact O-N 2.9Å; C705-Q708 VanDerWaalsContact O-N 3.16Å; C705-A710 WeakPolarHBondContact O-CB 3.28Å; C705-V712 HydrophobicContact CB-CG1 4.46Å; C705-V712 HydrophobicContact CB-CG2 3.47Å; C705-V712 VanDerWaalsContact CB-CG2 3.47Å
706	Q	95	Very high	94.4	Very high	39 Å²	39	19.9 Å²	19.9	18%	0.182	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-36.1	177.4	-72.3	177.2	-26.8	0	0	112.6	V702 E703 Q708 G709 V712 K727 D729	V702-Q706 WeakPolarHBondContact O-CG 3.44Å; V702-Q706 PolarHBondContact O-N 3.35Å; E703-Q706 PolarHBondContact O-N 2.87Å; Q706-Q708 PolarHBondContact O-N 3.45Å; Q706-G709 WeakPolarHBondContact O-CA 3.24Å; Q706-G709 PolarHBondContact O-N 3.01Å; Q706-V712 HydrophobicContact CG-CB 4.22Å; Q706-V712 HydrophobicContact CG-CG2 3.74Å; Q706-K727 PolarHBondContact NE2-O 2.69Å; Q706-D729 PolarHBondContact NE2-OD2 3.24Å
707	R	94.3	Very high	94.5	Very high	102 Å²	102	19.9 Å²	19.9	39%	0.385	10%	0.104	S	C	.	.	H	α-helix	trans	-60.3	-28.4	175.4	-79.9	-167.3	-51.4	-92.5	4.2	113.1	T675 D679 E703 G704 C705 G709	T675-R707 PolarHBondContact O-NH2 3.4Å; D679-R707 IonicContact OD1-CZ 3.99Å; D679-R707 IonicContact OD1-NE 3.65Å; D679-R707 PolarHBondContact OD1-NE 3.08Å; D679-R707 IonicContact OD1-NH2 2.59Å; D679-R707 PolarHBondContact OD1-NH2 3.32Å; D679-R707 IonicContact OD2-NE 3.5Å; E703-R707 WeakPolarHBondContact O-CG 3.33Å; E703-R707 PolarHBondContact O-N 2.83Å; G704-R707 PolarHBondContact O-N 3.01Å; C705-R707 VanDerWaalsContact C-N 3.33Å; C705-R707 PolarHBondContact O-N 2.88Å; R707-G709 PolarHBondContact O-N 3.42Å
708	Q	91.9	Very high	94.1	Very high	69 Å²	69	19.7 Å²	19.7	32%	0.322	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-4.7	173.2	-55.5	-51.4	-33.1	0	0	113.2	D679 K683 C705 Q706 A710	D679-Q708 VanDerWaalsContact CB-NE2 3.27Å; D679-Q708 PolarHBondContact OD1-NE2 2.89Å; D679-Q708 PolarHBondContact OD2-NE2 3.43Å; K683-Q708 VanDerWaalsContact CE-CD 3.4Å; C705-Q708 WeakPolarHBondContact O-CB 3.48Å; C705-Q708 PolarHBondContact O-N 2.9Å; C705-Q708 VanDerWaalsContact O-N 3.16Å; Q706-Q708 PolarHBondContact O-N 3.45Å; Q708-A710 VanDerWaalsContact C-N 3.35Å
709	G	91.6	Very high	93.6	Very high	32 Å²	32	19.8 Å²	19.8	33%	0.33	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.4	17	-174.4	0	0	0	0	0	113.6	Q706 R707	Q706-G709 WeakPolarHBondContact O-CA 3.24Å; Q706-G709 PolarHBondContact O-N 3.01Å; R707-G709 PolarHBondContact O-N 3.42Å
710	A	95.1	Very high	93.2	Very high	18 Å²	18	19.8 Å²	19.8	15%	0.149	11%	0.106	C	C	.	.			trans	-77.8	147.4	172.1	0	0	0	0	0	110.6	S371 C705 Q708 V712	S371-A710 WeakPolarHBondContact OG-CA 3.45Å; S371-A710 WeakPolarHBondContact OG-CB 3.36Å; C705-A710 WeakPolarHBondContact O-CB 3.28Å; Q708-A710 VanDerWaalsContact C-N 3.35Å; A710-V712 HydrophobicContact CB-CG2 4.37Å
711	I	97.6	Very high	93.2	Very high	18 Å²	18	17 Å²	17	9%	0.092	9%	0.092	C	C	.	.			trans	-89.5	119.7	167.7	-54.6	-52.9	0	0	0	107.3	P283 T366 S369 S371 T372 D729 P839	P283-I711 HydrophobicContact CG-CD1 3.99Å; P283-I711 HydrophobicContact CG-CG1 4.32Å; P283-I711 HydrophobicContact CG-CG2 3.96Å; T366-I711 HydrophobicContact CG2-CG2 3.98Å; S369-I711 WeakPolarHBondContact O-CB 3.49Å; S371-I711 PolarHBondContact N-O 2.94Å; S371-I711 PolarHBondContact OG-N 3.43Å; S371-I711 VanDerWaalsContact OG-N 3.13Å; S371-I711 PolarHBondContact OG-O 2.85Å; T372-I711 PolarHBondContact N-O 3.32Å; T372-I711 VanDerWaalsContact N-O 3.14Å; I711-D729 HydrophobicContact CG2-CB 3.84Å; I711-P839 HydrophobicContact CD1-CB 4.42Å; I711-P839 HydrophobicContact CD1-CG 4.24Å; I711-P839 HydrophobicContact CG1-CG 4.31Å
712	V	97.8	Very high	92.8	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	119.5	-168.5	-172.9	0	0	0	0	110.4	T372 V702 C705 Q706 A710 V714 D729	T372-V712 WeakPolarHBondContact O-CA 3.44Å; V702-V712 HydrophobicContact CG1-CG1 4.18Å; C705-V712 HydrophobicContact CB-CG1 4.46Å; C705-V712 HydrophobicContact CB-CG2 3.47Å; C705-V712 VanDerWaalsContact CB-CG2 3.47Å; Q706-V712 HydrophobicContact CG-CB 4.22Å; Q706-V712 HydrophobicContact CG-CG2 3.74Å; A710-V712 HydrophobicContact CB-CG2 4.37Å; V712-V714 HydrophobicContact CG1-CG2 4.46Å; V712-D729 PolarHBondContact N-OD2 3.31Å; V712-D729 PolarHBondContact O-N 3.01Å
713	A	97.9	Very high	92.4	Very high	1 Å²	1	17 Å²	17	1%	0.008	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	139	166	0	0	0	0	0	109.8	T370 T372 I373 C374 I730	T370-A713 HydrophobicContact CG2-CB 3.6Å; T372-A713 PolarHBondContact O-N 2.8Å; I373-A713 CarbonylContact C-O 3.49Å; I373-A713 WeakPolarHBondContact CA-O 3.34Å; I373-A713 HydrophobicContact CG1-CB 4.2Å; C374-A713 PolarHBondContact N-O 2.89Å; A713-I730 WeakPolarHBondContact CA-O 3.42Å; A713-I730 HydrophobicContact CB-CG2 3.54Å
714	V	98.1	Very high	92.4	Very high	5 Å²	5	15.4 Å²	15.4	3%	0.03	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132	172.5	175.1	0	0	0	0	109.4	C374 V702 V712 A724 L725 A728 I730 V732	C374-V714 HydrophobicContact CB-CG2 4.09Å; C374-V714 VanDerWaalsContact O-CA 3.26Å; C374-V714 WeakPolarHBondContact O-CA 3.43Å; V702-V714 HydrophobicContact CG1-CG2 4.36Å; V702-V714 HydrophobicContact CG2-CG2 3.47Å; V702-V714 VanDerWaalsContact CG2-CG2 3.47Å; V712-V714 HydrophobicContact CG1-CG2 4.46Å; V714-A724 HydrophobicContact CG1-CB 4.1Å; V714-A724 HydrophobicContact CG2-CB 4.44Å; V714-L725 HydrophobicContact CB-CD2 4.14Å; V714-L725 HydrophobicContact CG1-CD2 3.81Å; V714-L725 HydrophobicContact CG1-CG 4.06Å; V714-L725 WeakPolarHBondContact O-CD2 3.22Å; V714-A728 HydrophobicContact CB-CB 3.86Å; V714-A728 HydrophobicContact CG2-CB 3.55Å; V714-I730 PolarHBondContact N-O 3.31Å; V714-V732 PolarHBondContact O-N 3.29Å
715	T	96.9	Very high	92.3	Very high	4 Å²	4	15.4 Å²	15.4	3%	0.025	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.3	174.3	51.4	0	0	0	0	109.4	I373 C374 S375 D376 V732 F755 I758	I373-T715 HydrophobicContact CG2-CG2 4.48Å; C374-T715 PolarHBondContact O-N 2.9Å; S375-T715 VanDerWaalsContact CA-OG1 3.27Å; S375-T715 WeakPolarHBondContact CA-OG1 3.39Å; S375-T715 WeakPolarHBondContact CB-OG1 3.34Å; S375-T715 PolarHBondContact OG-OG1 3.18Å; D376-T715 PolarHBondContact N-O 2.87Å; T715-V732 WeakPolarHBondContact CA-O 3Å; T715-V732 HydrophobicContact CG2-CB 3.76Å; T715-V732 HydrophobicContact CG2-CG1 4.21Å; T715-V732 HydrophobicContact CG2-CG2 4.2Å; T715-F755 HydrophobicContact CG2-CE2 4.32Å; T715-I758 HydrophobicContact CG2-CD1 3.47Å; T715-I758 VanDerWaalsContact CG2-CD1 3.47Å; T715-I758 HydrophobicContact CG2-CG1 4.31Å
716	G	93.8	Very high	91.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.5	166.5	-174.9	0	0	0	0	0	113.3	T380 D721 V732 A733 M734	T380-G716 VanDerWaalsContact OG1-CA 3.3Å; T380-G716 WeakPolarHBondContact OG1-CA 3.28Å; G716-D721 WeakPolarHBondContact CA-OD2 3.4Å; G716-V732 PolarHBondContact N-O 3.45Å; G716-V732 VanDerWaalsContact N-O 3.07Å; G716-A733 WeakPolarHBondContact O-CA 3.29Å; G716-M734 PolarHBondContact O-N 3.35Å
717	D	88.3	Confident	91.8	Very high	10 Å²	10	19 Å²	19	5%	0.053	10%	0.098	C	C	.	.			trans	-131	-37.7	-177.9	75.5	-42.8	0	0	0	111.4	G379 T380 D721 M734 G738 S739 S742	G379-D717 WeakPolarHBondContact CA-OD2 3.38Å; T380-D717 PolarHBondContact OG1-N 3.47Å; D717-D721 PolarHBondContact N-OD2 2.87Å; D717-M734 HydrophobicContact CB-CB 3.99Å; D717-M734 HydrophobicContact CB-CG 3.79Å; D717-G738 CarbonylContact O-C 3.59Å; D717-G738 WeakPolarHBondContact O-CA 3.46Å; D717-S739 PolarHBondContact O-N 3.46Å; D717-S739 PolarHBondContact O-OG 3.15Å; D717-S742 VanDerWaalsContact O-CB 3.32Å; D717-S742 WeakPolarHBondContact O-CB 3.39Å; D717-S742 PolarHBondContact O-OG 2.86Å
718	G	82.8	Confident	91.8	Very high	7 Å²	7	14.3 Å²	14.3	7%	0.072	8%	0.082	C	C	.	.	S	Bend	trans	-78.5	167.7	-177	0	0	0	0	0	114.8	N720 D721 S742	G718-N720 VanDerWaalsContact C-N 3.25Å; G718-N720 WeakPolarHBondContact CA-OD1 3.38Å; G718-N720 PolarHBondContact O-N 2.62Å; G718-D721 PolarHBondContact N-OD2 3.45Å; G718-D721 PolarHBondContact O-N 3.14Å; G718-S742 WeakPolarHBondContact O-CB 3.4Å
719	V	81.8	Confident	92	Very high	6 Å²	6	12.7 Å²	12.7	4%	0.036	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-68.6	-30.8	177.5	-178.3	0	0	0	0	110.9	S217 M267 I270 D721 S722 V741	S217-V719 WeakPolarHBondContact O-CB 3.45Å; S217-V719 PolarHBondContact O-N 3.2Å; M267-V719 HydrophobicContact CE-CB 3.54Å; M267-V719 HydrophobicContact CE-CG1 3.67Å; M267-V719 HydrophobicContact CE-CG2 3.6Å; M267-V719 HydrophobicContact SD-CB 4.1Å; M267-V719 HydrophobicContact SD-CG1 3.78Å; I270-V719 HydrophobicContact CG2-CG1 4.32Å; V719-D721 PolarHBondContact O-N 2.72Å; V719-S722 VanDerWaalsContact O-CB 3.28Å; V719-S722 WeakPolarHBondContact O-CB 3.37Å; V719-S722 PolarHBondContact O-N 2.99Å; V719-S722 PolarHBondContact O-OG 3.08Å; V719-V741 HydrophobicContact CG1-CB 4.11Å; V719-V741 HydrophobicContact CG1-CG1 4.16Å; V719-V741 HydrophobicContact CG1-CG2 4.21Å; V719-V741 HydrophobicContact CG2-CB 4.2Å; V719-V741 HydrophobicContact CG2-CG2 4.11Å
720	N	85	Confident	92.2	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.06	C	C	.	.	G	3₁₀ helix	trans	-53.9	-26.9	171	61	-31.4	0	0	0	114	S217 L218 P695 K698 G718	S217-N720 PolarHBondContact O-N 3.07Å; L218-N720 VanDerWaalsContact O-CB 3.3Å; L218-N720 WeakPolarHBondContact O-CB 3.44Å; P695-N720 WeakPolarHBondContact CA-O 3.26Å; P695-N720 HydrophobicContact CB-CB 4.32Å; P695-N720 WeakPolarHBondContact CB-O 3.31Å; P695-N720 HydrophobicContact CG-CB 3.75Å; K698-N720 PolarHBondContact NZ-ND2 3.42Å; G718-N720 VanDerWaalsContact C-N 3.25Å; G718-N720 WeakPolarHBondContact CA-OD1 3.38Å; G718-N720 PolarHBondContact O-N 2.62Å
721	D	91.2	Very high	92.2	Very high	3 Å²	3	10.3 Å²	10.3	2%	0.016	5%	0.053	C	C	.	.	G	3₁₀ helix	trans	-83.6	-16.9	178.9	-61	-37.8	0	0	0	113.1	K698 G716 D717 G718 V719 A724 L725	K698-D721 WeakPolarHBondContact CD-OD1 3.3Å; K698-D721 IonicContact NZ-OD1 2.93Å; K698-D721 PolarHBondContact NZ-OD1 3.1Å; G716-D721 WeakPolarHBondContact CA-OD2 3.4Å; D717-D721 PolarHBondContact N-OD2 2.87Å; G718-D721 PolarHBondContact N-OD2 3.45Å; G718-D721 PolarHBondContact O-N 3.14Å; V719-D721 PolarHBondContact O-N 2.72Å; D721-A724 WeakPolarHBondContact O-CB 3.3Å; D721-A724 PolarHBondContact O-N 3.01Å; D721-L725 HydrophobicContact CB-CD1 3.84Å; D721-L725 HydrophobicContact CB-CG 4.12Å; D721-L725 WeakPolarHBondContact O-CB 3.44Å; D721-L725 WeakPolarHBondContact O-CG 3.48Å; D721-L725 PolarHBondContact O-N 3.37Å
722	S	87.2	Confident	92.1	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-54.9	-43.6	-171.3	-44.9	0	0	0	0	114.3	V719 K726 V741	V719-S722 VanDerWaalsContact O-CB 3.28Å; V719-S722 WeakPolarHBondContact O-CB 3.37Å; V719-S722 PolarHBondContact O-N 2.99Å; V719-S722 PolarHBondContact O-OG 3.08Å; S722-K726 WeakPolarHBondContact O-CB 3.24Å; S722-K726 PolarHBondContact O-N 3.09Å; S722-V741 VanDerWaalsContact OG-CG1 3.31Å; S722-V741 WeakPolarHBondContact OG-CG1 3.33Å
723	P	88.7	Confident	91.9	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.5	-41.3	176.4	-21.3	34.4	0	0	0	112.7	I270 L273 A274 L277 L699 K726 K727	I270-P723 HydrophobicContact CG2-CG 3.84Å; L273-P723 HydrophobicContact CD2-CB 4.16Å; L273-P723 HydrophobicContact CD2-CG 4.23Å; L273-P723 HydrophobicContact CG-CB 4.39Å; A274-P723 HydrophobicContact CB-CG 4.43Å; L277-P723 HydrophobicContact CD1-CB 4.13Å; L699-P723 HydrophobicContact CB-CB 4.24Å; L699-P723 HydrophobicContact CD2-CB 4.38Å; P723-K726 PolarHBondContact O-N 2.98Å; P723-K727 WeakPolarHBondContact O-CB 3.1Å; P723-K727 PolarHBondContact O-N 3.33Å; P723-K727 VanDerWaalsContact O-N 3.09Å
724	A	93.5	Very high	91.7	Very high	3 Å²	3	9.6 Å²	9.6	3%	0.025	5%	0.049	C	C	.	.	H	α-helix	trans	-67.7	-45.1	178.5	0	0	0	0	0	111.3	K698 V702 V714 D721 K726 K727 A728	K698-A724 HydrophobicContact CB-CB 3.91Å; V702-A724 HydrophobicContact CG2-CB 4.04Å; V714-A724 HydrophobicContact CG1-CB 4.1Å; V714-A724 HydrophobicContact CG2-CB 4.44Å; D721-A724 WeakPolarHBondContact O-CB 3.3Å; D721-A724 PolarHBondContact O-N 3.01Å; A724-K726 VanDerWaalsContact C-N 3.3Å; A724-K726 PolarHBondContact O-N 3.48Å; A724-K727 PolarHBondContact O-N 3.13Å; A724-A728 WeakPolarHBondContact O-CB 3.46Å; A724-A728 PolarHBondContact O-N 3.38Å
725	L	92.9	Very high	91.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-56.7	-42.6	174.6	-75.3	168.5	0	0	0	111.8	V714 D721 V732 A745 A746	V714-L725 HydrophobicContact CB-CD2 4.14Å; V714-L725 HydrophobicContact CG1-CD2 3.81Å; V714-L725 HydrophobicContact CG1-CG 4.06Å; V714-L725 WeakPolarHBondContact O-CD2 3.22Å; D721-L725 HydrophobicContact CB-CD1 3.84Å; D721-L725 HydrophobicContact CB-CG 4.12Å; D721-L725 WeakPolarHBondContact O-CB 3.44Å; D721-L725 WeakPolarHBondContact O-CG 3.48Å; D721-L725 PolarHBondContact O-N 3.37Å; L725-V732 WeakPolarHBondContact CD2-O 3.13Å; L725-A745 HydrophobicContact CB-CB 4.22Å; L725-A746 HydrophobicContact CD2-CB 4.38Å
726	K	88.4	Confident	90.5	Very high	66 Å²	66	15.7 Å²	15.7	29%	0.287	8%	0.084	S	C	.	.	H	α-helix	trans	-70.6	-37.1	180	-167.9	72.3	-178.5	165.2	0	113	A274 L277 S722 P723 A724	A274-K726 VanDerWaalsContact O-CG 3.27Å; A274-K726 WeakPolarHBondContact O-CG 3.38Å; L277-K726 HydrophobicContact CB-CG 4.09Å; S722-K726 WeakPolarHBondContact O-CB 3.24Å; S722-K726 PolarHBondContact O-N 3.09Å; P723-K726 PolarHBondContact O-N 2.98Å; A724-K726 VanDerWaalsContact C-N 3.3Å; A724-K726 PolarHBondContact O-N 3.48Å
727	K	92.6	Very high	89.9	Confident	53 Å²	53	17.6 Å²	17.6	23%	0.23	10%	0.099	C	C	.	.	H	α-helix	trans	-80	-26.9	-177	-175.8	58.6	-179.6	167.6	0	113.1	L699 V702 E703 Q706 P723 A724	L699-K727 HydrophobicContact CD1-CB 3.24Å; L699-K727 HydrophobicContact CD1-CD 4.39Å; L699-K727 HydrophobicContact CD1-CG 3.45Å; L699-K727 VanDerWaalsContact CD1-CG 3.45Å; V702-K727 HydrophobicContact CG1-CG 4.4Å; E703-K727 HydrophobicContact CG-CD 4.44Å; E703-K727 HydrophobicContact CG-CG 3.94Å; E703-K727 WeakPolarHBondContact OE1-CE 3.3Å; Q706-K727 PolarHBondContact NE2-O 2.69Å; P723-K727 WeakPolarHBondContact O-CB 3.1Å; P723-K727 PolarHBondContact O-N 3.33Å; P723-K727 VanDerWaalsContact O-N 3.09Å; A724-K727 PolarHBondContact O-N 3.13Å
728	A	95.6	Very high	89.6	Confident	5 Å²	5	17.4 Å²	17.4	4%	0.041	10%	0.1	C	C	.	.	S	Bend	trans	-52.4	155.3	175.1	0	0	0	0	0	111.8	V714 A724 I730	V714-A728 HydrophobicContact CB-CB 3.86Å; V714-A728 HydrophobicContact CG2-CB 3.55Å; A724-A728 WeakPolarHBondContact O-CB 3.46Å; A724-A728 PolarHBondContact O-N 3.38Å; A728-I730 WeakPolarHBondContact CB-O 3.18Å; A728-I730 PolarHBondContact O-N 3.36Å
729	D	95.4	Very high	89.4	Confident	35 Å²	35	18.3 Å²	18.3	19%	0.187	11%	0.106	C	C	.	.	S	Bend	trans	-68.3	-29.2	171.5	-58.6	-73.6	0	0	0	110.5	T366 Q706 I711 V712	T366-D729 HydrophobicContact CG2-CB 3.88Å; Q706-D729 PolarHBondContact NE2-OD2 3.24Å; I711-D729 HydrophobicContact CG2-CB 3.84Å; V712-D729 PolarHBondContact N-OD2 3.31Å; V712-D729 PolarHBondContact O-N 3.01Å
730	I	95.5	Very high	89.1	Confident	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	122.9	165.5	-176.6	172.1	0	0	0	111	A363 T366 L367 A713 V714 A728 V732 D747 M748	A363-I730 HydrophobicContact CB-CD1 3.85Å; A363-I730 HydrophobicContact CB-CG1 4.19Å; A363-I730 VanDerWaalsContact O-CD1 3.3Å; A363-I730 WeakPolarHBondContact O-CD1 3.28Å; T366-I730 HydrophobicContact CG2-CB 3.75Å; T366-I730 HydrophobicContact CG2-CG2 3.72Å; L367-I730 HydrophobicContact CD1-CD1 3.65Å; L367-I730 HydrophobicContact CD2-CD1 4.49Å; L367-I730 HydrophobicContact CD2-CG2 4.5Å; L367-I730 HydrophobicContact CG-CD1 3.58Å; L367-I730 HydrophobicContact CG-CG2 4.34Å; A713-I730 WeakPolarHBondContact CA-O 3.42Å; A713-I730 HydrophobicContact CB-CG2 3.54Å; V714-I730 PolarHBondContact N-O 3.31Å; A728-I730 WeakPolarHBondContact CB-O 3.18Å; A728-I730 PolarHBondContact O-N 3.36Å; I730-V732 HydrophobicContact CG1-CG2 4.34Å; I730-D747 HydrophobicContact CG1-CB 4.22Å; I730-M748 HydrophobicContact CD1-CB 4.35Å; I730-M748 HydrophobicContact CD1-SD 4.45Å
731	G	95.6	Very high	88.6	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	133.9	168.3	0	0	0	0	0	112	A746 D747 M748	G731-A746 WeakPolarHBondContact O-CB 2.96Å; G731-D747 PolarHBondContact N-OD2 3.29Å; G731-D747 PolarHBondContact O-N 2.83Å; G731-M748 PolarHBondContact O-N 3.09Å
732	V	96.3	Very high	88.3	Confident	1 Å²	1	23.2 Å²	23.2	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	118.3	178.4	-173.7	0	0	0	0	109.8	V714 T715 G716 L725 I730 M748 L750	V714-V732 PolarHBondContact O-N 3.29Å; T715-V732 WeakPolarHBondContact CA-O 3Å; T715-V732 HydrophobicContact CG2-CB 3.76Å; T715-V732 HydrophobicContact CG2-CG1 4.21Å; T715-V732 HydrophobicContact CG2-CG2 4.2Å; G716-V732 PolarHBondContact N-O 3.45Å; G716-V732 VanDerWaalsContact N-O 3.07Å; L725-V732 WeakPolarHBondContact CD2-O 3.13Å; I730-V732 HydrophobicContact CG1-CG2 4.34Å; V732-M748 WeakPolarHBondContact CA-O 3.45Å; V732-M748 HydrophobicContact CB-CE 4.26Å; V732-M748 HydrophobicContact CG1-CE 3.56Å; V732-M748 HydrophobicContact CG2-CB 4.43Å; V732-M748 HydrophobicContact CG2-CE 3.7Å; V732-L750 HydrophobicContact CG1-CD1 3.98Å; V732-L750 HydrophobicContact CG1-CD2 4.14Å; V732-L750 HydrophobicContact CG1-CG 3.79Å
733	A	93.6	Very high	88.1	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	148.9	179.7	0	0	0	0	0	112.9	G716 K743 A746 M748 I749 L750	G716-A733 WeakPolarHBondContact O-CA 3.29Å; A733-K743 HydrophobicContact CB-CG 4.14Å; A733-A746 HydrophobicContact CB-CB 3.57Å; A733-M748 PolarHBondContact N-O 2.88Å; A733-I749 WeakPolarHBondContact O-CA 3.41Å; A733-L750 PolarHBondContact O-N 3.31Å
734	M	92.1	Very high	87.6	Confident	2 Å²	2	29.2 Å²	29.2	1%	0.01	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.5	170.3	-54.5	-55	-82.8	0	0	110.3	G716 D717 A737 G738 K743 L750 D753	G716-M734 PolarHBondContact O-N 3.35Å; D717-M734 HydrophobicContact CB-CB 3.99Å; D717-M734 HydrophobicContact CB-CG 3.79Å; M734-A737 HydrophobicContact CB-CB 4.3Å; M734-G738 VanDerWaalsContact O-CA 3.28Å; M734-G738 WeakPolarHBondContact O-CA 3.34Å; M734-G738 PolarHBondContact O-N 2.92Å; M734-K743 WeakPolarHBondContact O-CE 3.44Å; M734-L750 HydrophobicContact SD-CD1 4.16Å; M734-D753 VanDerWaalsContact CE-CA 3.5Å; M734-D753 HydrophobicContact CE-CB 3.57Å; M734-D753 VanDerWaalsContact CE-O 3.24Å; M734-D753 WeakPolarHBondContact CE-O 3.37Å
735	G	86.5	Confident	87.1	Confident	17 Å²	17	29.6 Å²	29.6	18%	0.175	16%	0.163	C	C	.	.	S	Bend	trans	-80.4	-32.5	-173.1	0	0	0	0	0	113.7	K743 L750 D753	G735-K743 WeakPolarHBondContact O-CE 3.3Å; G735-K743 PolarHBondContact O-NZ 3.11Å; G735-L750 WeakPolarHBondContact CA-O 3.3Å; G735-L750 PolarHBondContact N-O 3.36Å; G735-D753 PolarHBondContact N-OD1 3.29Å
736	I	84.6	Confident	87	Confident	121 Å²	121	29.6 Å²	29.6	62%	0.621	16%	0.164	S	C	*	.	S	Bend	trans	-101.2	-61.1	-179.1	-52.1	171.1	0	0	0	109.2	G738 D753	I736-G738 VanDerWaalsContact C-N 3.27Å; I736-G738 PolarHBondContact O-N 2.74Å; I736-D753 WeakPolarHBondContact CB-OD2 3.34Å; I736-D753 PolarHBondContact N-OD1 2.97Å
737	A	80.4	Confident	87	Confident	39 Å²	39	28 Å²	28	32%	0.322	16%	0.159	S	C	.	.	S	Bend	trans	-67.2	-25.3	-179.3	0	0	0	0	0	113.6	M734 D753	M734-A737 HydrophobicContact CB-CB 4.3Å; A737-D753 VanDerWaalsContact CB-OD2 3.26Å; A737-D753 WeakPolarHBondContact CB-OD2 3.36Å; A737-D753 PolarHBondContact N-OD2 3.48Å
738	G	82.2	Confident	87	Confident	7 Å²	7	25.5 Å²	25.5	7%	0.072	15%	0.148	C	C	.	.	S	Bend	trans	-67.3	141.4	-175.4	0	0	0	0	0	113.8	D717 M734 I736 K743	D717-G738 CarbonylContact O-C 3.59Å; D717-G738 WeakPolarHBondContact O-CA 3.46Å; M734-G738 VanDerWaalsContact O-CA 3.28Å; M734-G738 WeakPolarHBondContact O-CA 3.34Å; M734-G738 PolarHBondContact O-N 2.92Å; I736-G738 VanDerWaalsContact C-N 3.27Å; I736-G738 PolarHBondContact O-N 2.74Å; G738-K743 WeakPolarHBondContact O-CE 3.2Å; G738-K743 PolarHBondContact O-NZ 3.21Å
739	S	78.7	Confident	86.8	Confident	26 Å²	26	25.6 Å²	25.6	18%	0.182	15%	0.147	C	C	.	.			trans	-64.8	158	166.7	71.6	0	0	0	0	111.9	D717 V741 S742 K743	D717-S739 PolarHBondContact O-N 3.46Å; D717-S739 PolarHBondContact O-OG 3.15Å; S739-V741 PolarHBondContact O-N 3.47Å; S739-S742 PolarHBondContact N-OG 3.47Å; S739-S742 PolarHBondContact O-N 3.47Å; S739-S742 PolarHBondContact O-OG 3.12Å; S739-S742 PolarHBondContact OG-N 3.47Å; S739-S742 PolarHBondContact OG-OG 3.43Å; S739-K743 WeakPolarHBondContact O-CG 3.35Å; S739-K743 PolarHBondContact O-N 3.25Å; S739-K743 VanDerWaalsContact O-N 3.13Å
740	D	74.4	Confident	86.7	Confident	70 Å²	70	23.9 Å²	23.9	37%	0.374	14%	0.138	S	C	.	.	H	α-helix	trans	-65.5	-30.9	177.8	-62.2	-36.4	0	0	0	112.3	Q744	D740-Q744 WeakPolarHBondContact O-CB 3.44Å; D740-Q744 VanDerWaalsContact O-CG 3.23Å; D740-Q744 WeakPolarHBondContact O-CG 3.29Å; D740-Q744 PolarHBondContact O-N 3.04Å
741	V	76.4	Confident	86.4	Confident	43 Å²	43	27.1 Å²	27.1	26%	0.261	16%	0.155	S	C	.	.	H	α-helix	trans	-68.4	-43.3	178.8	-168.1	0	0	0	0	110.5	V719 S722 S739 Q744 A745	V719-V741 HydrophobicContact CG1-CB 4.11Å; V719-V741 HydrophobicContact CG1-CG1 4.16Å; V719-V741 HydrophobicContact CG1-CG2 4.21Å; V719-V741 HydrophobicContact CG2-CB 4.2Å; V719-V741 HydrophobicContact CG2-CG2 4.11Å; S722-V741 VanDerWaalsContact OG-CG1 3.31Å; S722-V741 WeakPolarHBondContact OG-CG1 3.33Å; S739-V741 PolarHBondContact O-N 3.47Å; V741-Q744 PolarHBondContact O-N 3.28Å; V741-A745 WeakPolarHBondContact O-CB 3.49Å; V741-A745 PolarHBondContact O-N 3.05Å
742	S	82.9	Confident	86.1	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-66.1	-44.1	177.6	65.6	0	0	0	0	111.8	D717 G718 S739 Q744 A745 A746	D717-S742 VanDerWaalsContact O-CB 3.32Å; D717-S742 WeakPolarHBondContact O-CB 3.39Å; D717-S742 PolarHBondContact O-OG 2.86Å; G718-S742 WeakPolarHBondContact O-CB 3.4Å; S739-S742 PolarHBondContact N-OG 3.47Å; S739-S742 PolarHBondContact O-N 3.47Å; S739-S742 PolarHBondContact O-OG 3.12Å; S739-S742 PolarHBondContact OG-N 3.47Å; S739-S742 PolarHBondContact OG-OG 3.43Å; S742-Q744 VanDerWaalsContact C-N 3.28Å; S742-Q744 PolarHBondContact O-N 3.47Å; S742-A745 PolarHBondContact O-N 2.94Å; S742-A746 WeakPolarHBondContact O-CB 3.49Å; S742-A746 PolarHBondContact O-N 3.29Å
743	K	83.3	Confident	85.8	Confident	29 Å²	29	30.2 Å²	30.2	13%	0.126	17%	0.171	C	C	.	.	H	α-helix	trans	-59.7	-36.9	174.1	-68.2	170.3	-170	164.4	0	112.5	K359 A733 M734 G735 G738 S739 I749	K359-K743 PolarHBondContact NZ-O 2.86Å; A733-K743 HydrophobicContact CB-CG 4.14Å; M734-K743 WeakPolarHBondContact O-CE 3.44Å; G735-K743 WeakPolarHBondContact O-CE 3.3Å; G735-K743 PolarHBondContact O-NZ 3.11Å; G738-K743 WeakPolarHBondContact O-CE 3.2Å; G738-K743 PolarHBondContact O-NZ 3.21Å; S739-K743 WeakPolarHBondContact O-CG 3.35Å; S739-K743 PolarHBondContact O-N 3.25Å; S739-K743 VanDerWaalsContact O-N 3.13Å; K743-I749 HydrophobicContact CB-CD1 4.15Å
744	Q	79.8	Confident	85.5	Confident	97 Å²	97	33 Å²	33	45%	0.453	19%	0.186	S	C	.	.	H	α-helix	trans	-74	-36.9	176.4	-76.4	-178.3	19.9	0	0	112.8	K359 D740 V741 S742	K359-Q744 VanDerWaalsContact NZ-C 3.34Å; K359-Q744 PolarHBondContact NZ-O 2.88Å; D740-Q744 WeakPolarHBondContact O-CB 3.44Å; D740-Q744 VanDerWaalsContact O-CG 3.23Å; D740-Q744 WeakPolarHBondContact O-CG 3.29Å; D740-Q744 PolarHBondContact O-N 3.04Å; V741-Q744 PolarHBondContact O-N 3.28Å; S742-Q744 VanDerWaalsContact C-N 3.28Å; S742-Q744 PolarHBondContact O-N 3.47Å
745	A	82.6	Confident	85.4	Confident	10 Å²	10	33 Å²	33	8%	0.083	19%	0.186	C	C	.	.	H	α-helix	trans	-71.6	-35.4	178.4	0	0	0	0	0	113	L725 V741 S742	L725-A745 HydrophobicContact CB-CB 4.22Å; V741-A745 WeakPolarHBondContact O-CB 3.49Å; V741-A745 PolarHBondContact O-N 3.05Å; S742-A745 PolarHBondContact O-N 2.94Å
746	A	89.5	Confident	85.6	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.008	19%	0.188	C	C	.	.			trans	-70	158.2	-178.5	0	0	0	0	0	113.9	K359 L725 G731 A733 S742	K359-A746 VanDerWaalsContact CD-O 3.31Å; K359-A746 WeakPolarHBondContact CD-O 2.98Å; K359-A746 WeakPolarHBondContact CE-O 3.43Å; K359-A746 PolarHBondContact NZ-O 2.86Å; L725-A746 HydrophobicContact CD2-CB 4.38Å; G731-A746 WeakPolarHBondContact O-CB 2.96Å; A733-A746 HydrophobicContact CB-CB 3.57Å; S742-A746 WeakPolarHBondContact O-CB 3.49Å; S742-A746 PolarHBondContact O-N 3.29Å
747	D	89.8	Confident	86	Confident	33 Å²	33	28 Å²	28	18%	0.176	16%	0.161	C	C	.	.	S	Bend	trans	-96.1	-17	174.6	-53.6	-69	0	0	0	112.4	K359 A363 I730 G731	K359-D747 WeakPolarHBondContact CA-O 3.24Å; K359-D747 VanDerWaalsContact CB-O 3.28Å; K359-D747 WeakPolarHBondContact CB-O 3.45Å; K359-D747 PolarHBondContact N-O 3.24Å; A363-D747 HydrophobicContact CB-CB 3.91Å; I730-D747 HydrophobicContact CG1-CB 4.22Å; G731-D747 PolarHBondContact N-OD2 3.29Å; G731-D747 PolarHBondContact O-N 2.83Å
748	M	91.1	Very high	86.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	146.6	-179.7	-164.5	175.9	78.5	0	0	110.8	C356 L357 V358 L367 I730 G731 V732 A733 L750	C356-M748 PolarHBondContact SG-SD 3.14Å; L357-M748 CarbonylContact O-C 3.54Å; L357-M748 WeakPolarHBondContact O-CA 3.38Å; L357-M748 WeakPolarHBondContact O-CG 3.25Å; V358-M748 HydrophobicContact CG2-CG 4.25Å; V358-M748 HydrophobicContact CG2-SD 4.39Å; L367-M748 HydrophobicContact CD1-CE 3.42Å; L367-M748 VanDerWaalsContact CD1-CE 3.42Å; L367-M748 HydrophobicContact CD1-SD 3.41Å; L367-M748 WeakPolarHBondContact CD1-SD 3.39Å; I730-M748 HydrophobicContact CD1-CB 4.35Å; I730-M748 HydrophobicContact CD1-SD 4.45Å; G731-M748 PolarHBondContact O-N 3.09Å; V732-M748 WeakPolarHBondContact CA-O 3.45Å; V732-M748 HydrophobicContact CB-CE 4.26Å; V732-M748 HydrophobicContact CG1-CE 3.56Å; V732-M748 HydrophobicContact CG2-CB 4.43Å; V732-M748 HydrophobicContact CG2-CE 3.7Å; A733-M748 PolarHBondContact N-O 2.88Å; M748-L750 HydrophobicContact CE-CD2 3.89Å
749	I	91.8	Very high	87.3	Confident	6 Å²	6	26.5 Å²	26.5	3%	0.031	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	129.3	-178.8	-58.5	173.1	0	0	0	109.7	M158 L357 K359 A733 K743 L751	M158-I749 HydrophobicContact CE-CD1 3.58Å; M158-I749 HydrophobicContact SD-CD1 3.48Å; M158-I749 WeakPolarHBondContact SD-CD1 3.46Å; L357-I749 HydrophobicContact CB-CB 4.47Å; L357-I749 PolarHBondContact N-O 2.85Å; L357-I749 PolarHBondContact O-N 3.38Å; K359-I749 HydrophobicContact CD-CD1 4Å; K359-I749 HydrophobicContact CD-CG1 4.31Å; A733-I749 WeakPolarHBondContact O-CA 3.41Å; K743-I749 HydrophobicContact CB-CD1 4.15Å; I749-L751 HydrophobicContact CG2-CD2 4.05Å
750	L	93.5	Very high	88	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	98	174.2	-55.1	-174.7	0	0	0	109.4	C356 V732 A733 M734 G735 M748 D752 D753 I758	C356-L750 HydrophobicContact CB-CD2 4.42Å; V732-L750 HydrophobicContact CG1-CD1 3.98Å; V732-L750 HydrophobicContact CG1-CD2 4.14Å; V732-L750 HydrophobicContact CG1-CG 3.79Å; A733-L750 PolarHBondContact O-N 3.31Å; M734-L750 HydrophobicContact SD-CD1 4.16Å; G735-L750 WeakPolarHBondContact CA-O 3.3Å; G735-L750 PolarHBondContact N-O 3.36Å; M748-L750 HydrophobicContact CE-CD2 3.89Å; L750-D752 PolarHBondContact O-N 3.35Å; L750-D753 PolarHBondContact O-N 3.01Å; L750-I758 HydrophobicContact CD1-CG1 4.27Å
751	L	89	Confident	89	Confident	68 Å²	68	23.7 Å²	23.7	36%	0.356	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.2	-171	-61	176.5	0	0	0	113.7	N355 L357 I749	N355-L751 HydrophobicContact CB-CB 4.22Å; N355-L751 WeakPolarHBondContact O-CB 3.46Å; N355-L751 PolarHBondContact O-N 3.34Å; L357-L751 HydrophobicContact CB-CD1 4.17Å; L357-L751 HydrophobicContact CB-CD2 4.29Å; L357-L751 HydrophobicContact CB-CG 4.13Å; L357-L751 HydrophobicContact CD2-CD2 4.32Å; I749-L751 HydrophobicContact CG2-CD2 4.05Å
752	D	88.9	Confident	89.9	Confident	56 Å²	56	21.7 Å²	21.7	30%	0.299	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	8	-179	61.6	-1.9	0	0	0	113.7	N355 L750 N754	N355-D752 HydrophobicContact CB-CB 4Å; N355-D752 WeakPolarHBondContact CB-OD2 3.46Å; N355-D752 PolarHBondContact ND2-OD2 3.22Å; L750-D752 PolarHBondContact O-N 3.35Å; D752-N754 PolarHBondContact O-N 3.25Å; D752-N754 VanDerWaalsContact O-N 3.09Å; D752-N754 WeakPolarHBondContact OD1-CB 3.18Å; D752-N754 PolarHBondContact OD1-N 3.24Å; D752-N754 VanDerWaalsContact OD1-N 3.16Å
753	D	89.9	Confident	90.6	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.048	14%	0.136	C	C	.	.			trans	54.9	22.3	-175.9	-74.4	11.5	0	0	0	114.1	R596 M734 G735 I736 A737 L750 F755	R596-D753 IonicContact CZ-OD2 3.12Å; R596-D753 IonicContact NH2-OD2 2.9Å; R596-D753 PolarHBondContact NH2-OD2 3.16Å; M734-D753 VanDerWaalsContact CE-CA 3.5Å; M734-D753 HydrophobicContact CE-CB 3.57Å; M734-D753 VanDerWaalsContact CE-O 3.24Å; M734-D753 WeakPolarHBondContact CE-O 3.37Å; G735-D753 PolarHBondContact N-OD1 3.29Å; I736-D753 WeakPolarHBondContact CB-OD2 3.34Å; I736-D753 PolarHBondContact N-OD1 2.97Å; A737-D753 VanDerWaalsContact CB-OD2 3.26Å; A737-D753 WeakPolarHBondContact CB-OD2 3.36Å; A737-D753 PolarHBondContact N-OD2 3.48Å; L750-D753 PolarHBondContact O-N 3.01Å; D753-F755 PolarHBondContact O-N 2.98Å
754	N	88.9	Confident	91.2	Very high	58 Å²	58	24.8 Å²	24.8	31%	0.31	13%	0.133	S	C	.	.			trans	-88.4	108.6	-179.7	-174.1	-0.5	0	0	0	111.5	D752 A756 S757	D752-N754 PolarHBondContact O-N 3.25Å; D752-N754 VanDerWaalsContact O-N 3.09Å; D752-N754 WeakPolarHBondContact OD1-CB 3.18Å; D752-N754 PolarHBondContact OD1-N 3.24Å; D752-N754 VanDerWaalsContact OD1-N 3.16Å; N754-A756 PolarHBondContact O-N 2.93Å; N754-A756 VanDerWaalsContact O-N 3.17Å; N754-A756 VanDerWaalsContact OD1-CB 3.31Å; N754-A756 WeakPolarHBondContact OD1-CB 3.34Å; N754-A756 PolarHBondContact OD1-N 3.29Å; N754-S757 WeakPolarHBondContact O-CB 3.17Å; N754-S757 PolarHBondContact O-N 2.71Å; N754-S757 PolarHBondContact O-OG 3.41Å
755	F	88.5	Confident	91.9	Very high	3 Å²	3	20.1 Å²	20.1	1%	0.013	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.1	178.9	-161.1	-90.3	0	0	0	113.4	T380 L381 V599 A602 V603 T715 D753 S757 I758	T380-F755 HydrophobicContact CG2-CD2 4.34Å; T380-F755 HydrophobicContact CG2-CE2 4.1Å; L381-F755 HydrophobicContact CD2-CD2 4.27Å; L381-F755 HydrophobicContact CD2-CE1 4.31Å; L381-F755 HydrophobicContact CD2-CE2 3.75Å; L381-F755 HydrophobicContact CD2-CZ 3.78Å; V599-F755 HydrophobicContact CG2-CB 3.44Å; V599-F755 VanDerWaalsContact CG2-CB 3.44Å; V599-F755 HydrophobicContact CG2-CD1 4.21Å; V599-F755 HydrophobicContact CG2-CD2 4.36Å; V599-F755 HydrophobicContact CG2-CG 3.78Å; A602-F755 HydrophobicContact CB-CD1 3.75Å; A602-F755 HydrophobicContact CB-CE1 4.41Å; V603-F755 HydrophobicContact CG2-CE1 4.14Å; T715-F755 HydrophobicContact CG2-CE2 4.32Å; D753-F755 PolarHBondContact O-N 2.98Å; F755-S757 PolarHBondContact O-N 2.91Å; F755-S757 VanDerWaalsContact O-N 3.12Å; F755-I758 HydrophobicContact CD1-CD1 3.87Å; F755-I758 HydrophobicContact CD2-CD1 3.5Å; F755-I758 VanDerWaalsContact CD2-CD1 3.5Å; F755-I758 HydrophobicContact CE1-CD1 3.7Å; F755-I758 HydrophobicContact CE2-CD1 3.3Å; F755-I758 HydrophobicContact CG-CD1 3.78Å; F755-I758 HydrophobicContact CZ-CD1 3.41Å; F755-I758 VanDerWaalsContact CZ-CD1 3.41Å; F755-I758 WeakPolarHBondContact O-CB 3.33Å; F755-I758 PolarHBondContact O-N 3.19Å
756	A	91.3	Very high	92.6	Very high	25 Å²	25	19.9 Å²	19.9	21%	0.207	11%	0.109	C	C	.	.	H	α-helix	trans	-62.8	-18.7	175.4	0	0	0	0	0	113.4	A598 A602 N754 I758 V759 T760	A598-A756 HydrophobicContact CB-CB 4.08Å; A602-A756 HydrophobicContact CB-CB 4.44Å; N754-A756 PolarHBondContact O-N 2.93Å; N754-A756 VanDerWaalsContact O-N 3.17Å; N754-A756 VanDerWaalsContact OD1-CB 3.31Å; N754-A756 WeakPolarHBondContact OD1-CB 3.34Å; N754-A756 PolarHBondContact OD1-N 3.29Å; A756-I758 PolarHBondContact O-N 3.17Å; A756-V759 WeakPolarHBondContact O-CB 3.33Å; A756-V759 PolarHBondContact O-N 2.89Å; A756-V759 VanDerWaalsContact O-N 3.15Å; A756-T760 PolarHBondContact O-N 3.44Å; A756-T760 PolarHBondContact O-OG1 2.91Å
757	S	93.4	Very high	93	Very high	7 Å²	7	20.7 Å²	20.7	5%	0.049	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-25	172.4	-64	0	0	0	0	112.5	N754 F755 T760 G761	N754-S757 WeakPolarHBondContact O-CB 3.17Å; N754-S757 PolarHBondContact O-N 2.71Å; N754-S757 PolarHBondContact O-OG 3.41Å; F755-S757 PolarHBondContact O-N 2.91Å; F755-S757 VanDerWaalsContact O-N 3.12Å; S757-T760 WeakPolarHBondContact O-CB 3.44Å; S757-T760 PolarHBondContact O-N 3.47Å; S757-G761 PolarHBondContact O-N 2.98Å
758	I	94.1	Very high	93.3	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-64.9	-45.1	173.4	-65.1	161.6	0	0	0	110.5	L367 I373 T715 L750 F755 A756 T760 G761 V762	L367-I758 HydrophobicContact CD2-CG2 4.29Å; I373-I758 HydrophobicContact CD1-CG2 4.04Å; T715-I758 HydrophobicContact CG2-CD1 3.47Å; T715-I758 VanDerWaalsContact CG2-CD1 3.47Å; T715-I758 HydrophobicContact CG2-CG1 4.31Å; L750-I758 HydrophobicContact CD1-CG1 4.27Å; F755-I758 HydrophobicContact CD1-CD1 3.87Å; F755-I758 HydrophobicContact CD2-CD1 3.5Å; F755-I758 VanDerWaalsContact CD2-CD1 3.5Å; F755-I758 HydrophobicContact CE1-CD1 3.7Å; F755-I758 HydrophobicContact CE2-CD1 3.3Å; F755-I758 HydrophobicContact CG-CD1 3.78Å; F755-I758 HydrophobicContact CZ-CD1 3.41Å; F755-I758 VanDerWaalsContact CZ-CD1 3.41Å; F755-I758 WeakPolarHBondContact O-CB 3.33Å; F755-I758 PolarHBondContact O-N 3.19Å; A756-I758 PolarHBondContact O-N 3.17Å; I758-T760 VanDerWaalsContact C-N 3.27Å; I758-T760 PolarHBondContact O-N 3.47Å; I758-G761 WeakPolarHBondContact O-CA 3.33Å; I758-G761 PolarHBondContact O-N 2.96Å; I758-G761 VanDerWaalsContact O-N 3.07Å; I758-V762 HydrophobicContact CG2-CG2 4.46Å; I758-V762 WeakPolarHBondContact O-CG2 3.37Å; I758-V762 PolarHBondContact O-N 3.3Å
759	V	95.9	Very high	93.6	Very high	15 Å²	15	19.6 Å²	19.6	9%	0.091	11%	0.106	C	C	.	.	H	α-helix	trans	-59.3	-44	177.2	-176.6	0	0	0	0	110.2	A602 K605 A756 G761 V762 E763 M832	A602-V759 HydrophobicContact CB-CG2 3.8Å; K605-V759 HydrophobicContact CB-CG1 3.89Å; K605-V759 HydrophobicContact CB-CG2 4.02Å; K605-V759 HydrophobicContact CD-CG1 4Å; A756-V759 WeakPolarHBondContact O-CB 3.33Å; A756-V759 PolarHBondContact O-N 2.89Å; A756-V759 VanDerWaalsContact O-N 3.15Å; V759-G761 VanDerWaalsContact C-N 3.33Å; V759-G761 PolarHBondContact O-N 2.98Å; V759-V762 PolarHBondContact O-N 3.37Å; V759-E763 PolarHBondContact O-N 3.48Å; V759-M832 HydrophobicContact CG1-CE 3.62Å
760	T	93.8	Very high	93.8	Very high	37 Å²	37	20.2 Å²	20.2	23%	0.227	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-41.6	175.2	-57.8	0	0	0	0	111.5	K354 A756 S757 I758 E763 E764	K354-T760 HydrophobicContact CD-CG2 3.55Å; A756-T760 PolarHBondContact O-N 3.44Å; A756-T760 PolarHBondContact O-OG1 2.91Å; S757-T760 WeakPolarHBondContact O-CB 3.44Å; S757-T760 PolarHBondContact O-N 3.47Å; I758-T760 VanDerWaalsContact C-N 3.27Å; I758-T760 PolarHBondContact O-N 3.47Å; T760-E763 PolarHBondContact O-N 2.87Å; T760-E764 HydrophobicContact CG2-CG 4.26Å; T760-E764 VanDerWaalsContact O-CG 3.27Å; T760-E764 WeakPolarHBondContact O-CG 3.45Å; T760-E764 PolarHBondContact O-N 2.95Å
761	G	93.9	Very high	94	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-40.6	176.9	0	0	0	0	0	112.8	S757 I758 V759 G765	S757-G761 PolarHBondContact O-N 2.98Å; I758-G761 WeakPolarHBondContact O-CA 3.33Å; I758-G761 PolarHBondContact O-N 2.96Å; I758-G761 VanDerWaalsContact O-N 3.07Å; V759-G761 VanDerWaalsContact C-N 3.33Å; V759-G761 PolarHBondContact O-N 2.98Å; G761-G765 PolarHBondContact O-N 3.46Å
762	V	96.5	Very high	94.3	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.5	-45	173.4	173.6	0	0	0	0	110.5	L367 G368 I611 I758 V759 G765 R766 M832	L367-V762 HydrophobicContact CD2-CG2 4.31Å; G368-V762 WeakPolarHBondContact CA-O 3.3Å; I611-V762 HydrophobicContact CD1-CG1 3.92Å; I611-V762 HydrophobicContact CD1-CG2 3.83Å; I758-V762 HydrophobicContact CG2-CG2 4.46Å; I758-V762 WeakPolarHBondContact O-CG2 3.37Å; I758-V762 PolarHBondContact O-N 3.3Å; V759-V762 PolarHBondContact O-N 3.37Å; V762-G765 PolarHBondContact O-N 3.16Å; V762-R766 WeakPolarHBondContact O-CB 3.49Å; V762-R766 VanDerWaalsContact O-CG 3.3Å; V762-R766 WeakPolarHBondContact O-CG 3.21Å; V762-R766 PolarHBondContact O-N 3.38Å; V762-M832 HydrophobicContact CB-CE 4.39Å; V762-M832 HydrophobicContact CG1-CE 4.1Å; V762-M832 HydrophobicContact CG1-SD 4.09Å
763	E	96.5	Very high	94.7	Very high	82 Å²	82	14.9 Å²	14.9	38%	0.383	8%	0.081	S	C	.	.	H	α-helix	trans	-61.6	-52.3	178	-171.9	-176.8	175.4	0	0	111.7	V759 T760 G765 R766 L767 I831 M832	V759-E763 PolarHBondContact O-N 3.48Å; T760-E763 PolarHBondContact O-N 2.87Å; E763-G765 VanDerWaalsContact C-N 3.32Å; E763-G765 PolarHBondContact O-N 2.84Å; E763-R766 PolarHBondContact O-N 3.29Å; E763-L767 WeakPolarHBondContact O-CB 3.39Å; E763-L767 PolarHBondContact O-N 3.49Å; E763-I831 HydrophobicContact CG-CD1 3.85Å; E763-I831 HydrophobicContact CG-CG1 4.19Å; E763-I831 WeakPolarHBondContact O-CD1 3.42Å; E763-M832 HydrophobicContact CB-CG 4.24Å; E763-M832 HydrophobicContact CB-SD 3.73Å; E763-M832 HydrophobicContact CG-CG 4.17Å; E763-M832 HydrophobicContact CG-SD 4.24Å
764	E	95.7	Very high	95.1	Very high	12 Å²	12	14.6 Å²	14.6	6%	0.056	8%	0.079	C	C	.	.	H	α-helix	trans	-65.3	-36.2	-179.8	-63.7	-78.4	-177	0	0	111.5	T347 R350 M351 K354 T760 L767 I768	T347-E764 HydrophobicContact CG2-CB 4.12Å; R350-E764 WeakPolarHBondContact CD-OE1 3.44Å; R350-E764 VanDerWaalsContact CD-OE2 3.31Å; R350-E764 WeakPolarHBondContact CD-OE2 3.42Å; R350-E764 IonicContact CZ-OE2 2.72Å; R350-E764 IonicContact NE-OE2 2.87Å; R350-E764 IonicContact NH1-OE2 3.45Å; R350-E764 PolarHBondContact NH1-OE2 3Å; M351-E764 HydrophobicContact CE-CB 4.28Å; M351-E764 HydrophobicContact CG-CB 4.39Å; M351-E764 HydrophobicContact CG-CG 4.32Å; M351-E764 HydrophobicContact SD-CB 4.5Å; K354-E764 IonicContact NZ-OE1 2.79Å; K354-E764 PolarHBondContact NZ-OE1 2.82Å; T760-E764 HydrophobicContact CG2-CG 4.26Å; T760-E764 VanDerWaalsContact O-CG 3.27Å; T760-E764 WeakPolarHBondContact O-CG 3.45Å; T760-E764 PolarHBondContact O-N 2.95Å; E764-L767 PolarHBondContact O-N 3.45Å; E764-I768 WeakPolarHBondContact O-CG2 3.41Å; E764-I768 PolarHBondContact O-N 2.92Å
765	G	95.9	Very high	95.5	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-64.5	-42.7	175	0	0	0	0	0	112.8	V364 G761 V762 E763 I768 F769	V364-G765 VanDerWaalsContact O-CA 3.31Å; V364-G765 WeakPolarHBondContact O-CA 3.38Å; G761-G765 PolarHBondContact O-N 3.46Å; V762-G765 PolarHBondContact O-N 3.16Å; E763-G765 VanDerWaalsContact C-N 3.32Å; E763-G765 PolarHBondContact O-N 2.84Å; G765-I768 VanDerWaalsContact O-CG2 3.27Å; G765-I768 WeakPolarHBondContact O-CG2 3.31Å; G765-F769 PolarHBondContact O-N 3.12Å
766	R	97.3	Very high	95.8	Very high	5 Å²	5	11.8 Å²	11.8	2%	0.019	6%	0.064	C	C	.	.	H	α-helix	trans	-66.3	-39.8	174.7	-77.2	174.5	-176.1	-160.7	2.1	111.4	G368 A609 V762 E763 D770 I831 R834	G368-R766 VanDerWaalsContact O-CG 3.26Å; G368-R766 WeakPolarHBondContact O-CG 3.3Å; G368-R766 PolarHBondContact O-NE 3Å; A609-R766 PolarHBondContact O-NH2 3.41Å; V762-R766 WeakPolarHBondContact O-CB 3.49Å; V762-R766 VanDerWaalsContact O-CG 3.3Å; V762-R766 WeakPolarHBondContact O-CG 3.21Å; V762-R766 PolarHBondContact O-N 3.38Å; E763-R766 PolarHBondContact O-N 3.29Å; R766-D770 PolarHBondContact O-N 2.83Å; R766-I831 HydrophobicContact CB-CB 4.48Å; R766-I831 HydrophobicContact CB-CD1 4.04Å; R766-I831 WeakPolarHBondContact CD-O 3.4Å; R766-I831 PolarHBondContact NH1-O 3.21Å; R766-R834 PolarHBondContact NH1-O 2.85Å; R766-R834 PolarHBondContact O-NH2 3.48Å
767	L	97.1	Very high	96.1	Very high	17 Å²	17	10.7 Å²	10.7	9%	0.089	6%	0.056	C	C	.	.	H	α-helix	trans	-65.4	-48.6	179.1	-179.1	62.4	0	0	0	111.4	E763 E764 F769 D770 N771 A827 I831	E763-L767 WeakPolarHBondContact O-CB 3.39Å; E763-L767 PolarHBondContact O-N 3.49Å; E764-L767 PolarHBondContact O-N 3.45Å; L767-F769 VanDerWaalsContact C-N 3.3Å; L767-F769 PolarHBondContact O-N 3.45Å; L767-D770 PolarHBondContact O-N 2.72Å; L767-N771 WeakPolarHBondContact O-CB 3.26Å; L767-N771 VanDerWaalsContact O-CG 3.29Å; L767-N771 PolarHBondContact O-N 3.18Å; L767-A827 HydrophobicContact CD1-CB 4.13Å; L767-I831 HydrophobicContact CB-CD1 3.95Å
768	I	96.4	Very high	96.3	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	5%	0.053	C	C	.	.	H	α-helix	trans	-65.9	-34.6	-179.4	-168.1	54.6	0	0	0	111.6	C343 L344 T347 V364 E365 E764 G765 N771 L772 A823	C343-I768 HydrophobicContact CB-CD1 4.16Å; L344-I768 HydrophobicContact CD2-CG1 4.17Å; T347-I768 HydrophobicContact CG2-CB 4.25Å; T347-I768 WeakPolarHBondContact OG1-CD1 3.02Å; V364-I768 HydrophobicContact CG1-CG2 4.12Å; E365-I768 HydrophobicContact CB-CG2 4.29Å; E764-I768 WeakPolarHBondContact O-CG2 3.41Å; E764-I768 PolarHBondContact O-N 2.92Å; G765-I768 VanDerWaalsContact O-CG2 3.27Å; G765-I768 WeakPolarHBondContact O-CG2 3.31Å; I768-N771 PolarHBondContact O-N 2.92Å; I768-L772 HydrophobicContact CD1-CG 4.16Å; I768-L772 HydrophobicContact CG1-CD1 4.14Å; I768-L772 HydrophobicContact CG1-CG 4.12Å; I768-L772 VanDerWaalsContact O-CB 3.31Å; I768-L772 WeakPolarHBondContact O-CB 3.49Å; I768-L772 VanDerWaalsContact O-CG 3.22Å; I768-L772 WeakPolarHBondContact O-CG 3.29Å; I768-L772 PolarHBondContact O-N 3.22Å; I768-A823 HydrophobicContact CD1-CB 4.33Å
769	F	96.7	Very high	96.4	Very high	9 Å²	9	10.5 Å²	10.5	4%	0.039	5%	0.054	C	C	.	.	H	α-helix	trans	-59.9	-48.4	174.7	-175.2	-95.1	0	0	0	111.8	E287 E365 G765 L767 N771 L772 K773 L844	E287-F769 HydrophobicContact CG-CE2 4.45Å; E365-F769 HydrophobicContact CG-CB 4.26Å; E365-F769 HydrophobicContact CG-CD2 4.11Å; E365-F769 VanDerWaalsContact OE1-CD2 3.3Å; E365-F769 WeakPolarHBondContact OE1-CD2 3.37Å; G765-F769 PolarHBondContact O-N 3.12Å; L767-F769 VanDerWaalsContact C-N 3.3Å; L767-F769 PolarHBondContact O-N 3.45Å; F769-N771 VanDerWaalsContact C-N 3.35Å; F769-N771 PolarHBondContact O-N 3.46Å; F769-L772 PolarHBondContact O-N 3.08Å; F769-K773 HydrophobicContact CE1-CD 4.46Å; F769-K773 PolarHBondContact O-N 3.3Å; F769-L844 HydrophobicContact CD2-CD1 4.04Å; F769-L844 HydrophobicContact CE2-CB 4.01Å; F769-L844 HydrophobicContact CE2-CD1 3.85Å; F769-L844 HydrophobicContact CZ-CB 4.19Å; F769-L844 HydrophobicContact CZ-CD1 4.23Å
770	D	96.9	Very high	96.4	Very high	19 Å²	19	9.8 Å²	9.8	10%	0.102	5%	0.05	C	C	.	.	H	α-helix	trans	-66.2	-37.3	177.4	-74	-33.2	0	0	0	112.1	R766 L767 K773 K774 R834 R940	R766-D770 PolarHBondContact O-N 2.83Å; L767-D770 PolarHBondContact O-N 2.72Å; D770-K773 WeakPolarHBondContact O-CB 3.41Å; D770-K773 PolarHBondContact O-N 3.15Å; D770-K774 WeakPolarHBondContact O-CG 3.35Å; D770-K774 PolarHBondContact O-N 2.89Å; D770-R834 IonicContact OD1-NH1 3.73Å; D770-R834 IonicContact OD1-NH2 2.82Å; D770-R834 IonicContact OD2-CZ 3.63Å; D770-R834 IonicContact OD2-NH1 3.45Å; D770-R834 PolarHBondContact OD2-NH1 3.31Å; D770-R834 IonicContact OD2-NH2 3.54Å; D770-R834 PolarHBondContact OD2-NH2 3.14Å; D770-R940 VanDerWaalsContact CG-NH1 3.29Å; D770-R940 IonicContact OD1-CZ 2.78Å; D770-R940 IonicContact OD1-NH1 3.79Å; D770-R940 PolarHBondContact OD1-NH1 3.3Å
771	N	97.4	Very high	96.6	Very high	2 Å²	2	8.1 Å²	8.1	1%	0.011	4%	0.04	C	C	.	.	H	α-helix	trans	-72.6	-32.4	178.4	-70.8	-7.7	0	0	0	112.7	L767 I768 F769 K773 K774 S775 A823 E825	L767-N771 WeakPolarHBondContact O-CB 3.26Å; L767-N771 VanDerWaalsContact O-CG 3.29Å; L767-N771 PolarHBondContact O-N 3.18Å; I768-N771 PolarHBondContact O-N 2.92Å; F769-N771 VanDerWaalsContact C-N 3.35Å; F769-N771 PolarHBondContact O-N 3.46Å; N771-K773 VanDerWaalsContact C-N 3.34Å; N771-K774 WeakPolarHBondContact O-CB 3.2Å; N771-K774 PolarHBondContact O-N 3.13Å; N771-S775 PolarHBondContact O-N 2.98Å; N771-A823 PolarHBondContact ND2-O 3.44Å; N771-E825 PolarHBondContact ND2-O 3.47Å
772	L	95.9	Very high	96.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-64.6	-38.9	172.5	-77.5	173.6	0	0	0	110.8	I284 V340 C343 L344 I768 F769 K774 S775 I776 L844	I284-L772 HydrophobicContact CD1-CD1 4.05Å; V340-L772 HydrophobicContact CB-CD2 4.34Å; V340-L772 HydrophobicContact CG1-CD2 4.1Å; V340-L772 HydrophobicContact CG2-CD2 4.16Å; C343-L772 HydrophobicContact CB-CD2 3.83Å; L344-L772 HydrophobicContact CD2-CD1 4.23Å; I768-L772 HydrophobicContact CD1-CG 4.16Å; I768-L772 HydrophobicContact CG1-CD1 4.14Å; I768-L772 HydrophobicContact CG1-CG 4.12Å; I768-L772 VanDerWaalsContact O-CB 3.31Å; I768-L772 WeakPolarHBondContact O-CB 3.49Å; I768-L772 VanDerWaalsContact O-CG 3.22Å; I768-L772 WeakPolarHBondContact O-CG 3.29Å; I768-L772 PolarHBondContact O-N 3.22Å; F769-L772 PolarHBondContact O-N 3.08Å; L772-K774 VanDerWaalsContact C-N 3.28Å; L772-K774 PolarHBondContact O-N 2.81Å; L772-S775 PolarHBondContact O-N 3.1Å; L772-I776 HydrophobicContact CB-CD1 4.48Å; L772-I776 WeakPolarHBondContact O-CB 3.36Å; L772-I776 WeakPolarHBondContact O-CD1 3.38Å; L772-I776 WeakPolarHBondContact O-CG1 3.23Å; L772-I776 PolarHBondContact O-N 2.97Å; L772-L844 HydrophobicContact CB-CD1 3.99Å
773	K	96.9	Very high	96.6	Very high	10 Å²	10	8.1 Å²	8.1	4%	0.043	4%	0.04	C	C	.	.	H	α-helix	trans	-56.4	-43.7	171.6	-67.6	-167.3	164.6	-165.9	0	112.3	F769 D770 N771 A777 K843 L844 Y1023	F769-K773 HydrophobicContact CE1-CD 4.46Å; F769-K773 PolarHBondContact O-N 3.3Å; D770-K773 WeakPolarHBondContact O-CB 3.41Å; D770-K773 PolarHBondContact O-N 3.15Å; N771-K773 VanDerWaalsContact C-N 3.34Å; K773-A777 VanDerWaalsContact O-CB 3.25Å; K773-A777 WeakPolarHBondContact O-CB 3.47Å; K773-A777 PolarHBondContact O-N 3.11Å; K773-K843 WeakPolarHBondContact CE-O 3.47Å; K773-K843 PolarHBondContact NZ-O 3.39Å; K773-L844 VanDerWaalsContact CE-O 3.26Å; K773-L844 WeakPolarHBondContact CE-O 3.14Å; K773-L844 HydrophobicContact CG-CD1 3.82Å; K773-L844 WeakPolarHBondContact CG-O 3.27Å; K773-Y1023 PolarHBondContact NZ-OXT 3.22Å
774	K	97.5	Very high	96.6	Very high	2 Å²	2	5.3 Å²	5.3	1%	0.009	3%	0.027	C	C	.	.	H	α-helix	trans	-64.1	-48.5	178.8	-63	174	-178.9	-176.2	0	111.3	D770 N771 L772 I776 A777 Y778 L822 E828 C937 K938 R940	D770-K774 WeakPolarHBondContact O-CG 3.35Å; D770-K774 PolarHBondContact O-N 2.89Å; N771-K774 WeakPolarHBondContact O-CB 3.2Å; N771-K774 PolarHBondContact O-N 3.13Å; L772-K774 VanDerWaalsContact C-N 3.28Å; L772-K774 PolarHBondContact O-N 2.81Å; K774-I776 PolarHBondContact O-N 2.88Å; K774-A777 PolarHBondContact O-N 2.87Å; K774-Y778 WeakPolarHBondContact O-CB 3.25Å; K774-Y778 PolarHBondContact O-N 3.33Å; K774-L822 HydrophobicContact CB-CD1 4.45Å; K774-E828 WeakPolarHBondContact CE-OE1 3.31Å; K774-E828 IonicContact NZ-OE1 2.81Å; K774-E828 PolarHBondContact NZ-OE1 3.5Å; K774-C937 VanDerWaalsContact CB-O 3.29Å; K774-C937 WeakPolarHBondContact CB-O 3.2Å; K774-C937 VanDerWaalsContact CD-O 3.27Å; K774-C937 WeakPolarHBondContact CD-O 3.46Å; K774-C937 WeakPolarHBondContact CG-O 3.28Å; K774-K938 WeakPolarHBondContact CE-O 3.27Å; K774-K938 PolarHBondContact NZ-O 3.32Å; K774-R940 HydrophobicContact CG-CG 4.1Å
775	S	97.2	Very high	96.6	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-62.5	-41.4	178.1	175.8	0	0	0	0	112.2	T339 N771 L772 T779 A819	T339-S775 WeakPolarHBondContact CG2-OG 3.27Å; N771-S775 PolarHBondContact O-N 2.98Å; L772-S775 PolarHBondContact O-N 3.1Å; S775-T779 PolarHBondContact O-N 3Å; S775-T779 PolarHBondContact O-OG1 3.29Å; S775-A819 PolarHBondContact OG-O 3.39Å
776	I	95.9	Very high	96.6	Very high	2 Å²	2	4.7 Å²	4.7	1%	0.01	2%	0.024	C	C	.	.	H	α-helix	trans	-67.8	-44.8	177.2	-67.7	161.5	0	0	0	110.5	F291 L336 L772 K774 Y778 T779 L780 L844 V845	F291-I776 HydrophobicContact CE2-CG2 4.3Å; F291-I776 HydrophobicContact CZ-CG2 4.42Å; L336-I776 HydrophobicContact CD1-CB 4.49Å; L336-I776 HydrophobicContact CD1-CG1 3.92Å; L336-I776 HydrophobicContact CD2-CG1 4.37Å; L336-I776 HydrophobicContact CD2-CG2 4.3Å; L772-I776 HydrophobicContact CB-CD1 4.48Å; L772-I776 WeakPolarHBondContact O-CB 3.36Å; L772-I776 WeakPolarHBondContact O-CD1 3.38Å; L772-I776 WeakPolarHBondContact O-CG1 3.23Å; L772-I776 PolarHBondContact O-N 2.97Å; K774-I776 PolarHBondContact O-N 2.88Å; I776-Y778 VanDerWaalsContact C-N 3.31Å; I776-Y778 PolarHBondContact O-N 3Å; I776-T779 PolarHBondContact O-N 3.38Å; I776-L780 HydrophobicContact CG2-CD1 3.51Å; I776-L780 HydrophobicContact CG2-CG 3.97Å; I776-L780 VanDerWaalsContact O-CB 3.25Å; I776-L780 WeakPolarHBondContact O-CB 3.4Å; I776-L780 VanDerWaalsContact O-CG 3.23Å; I776-L780 WeakPolarHBondContact O-CG 3.45Å; I776-L780 PolarHBondContact O-N 3.16Å; I776-L844 HydrophobicContact CD1-CD1 4.26Å; I776-L844 HydrophobicContact CD1-CD2 3.61Å; I776-L844 HydrophobicContact CD1-CG 3.83Å; I776-V845 HydrophobicContact CD1-CG2 4.33Å; I776-V845 HydrophobicContact CG2-CG2 3.78Å
777	A	97.2	Very high	96.4	Very high	3 Å²	3	4.6 Å²	4.6	3%	0.025	2%	0.024	C	C	.	.	H	α-helix	trans	-59.6	-42.4	177.8	0	0	0	0	0	112	K773 K774 L780 T781 L849 Y1023	K773-A777 VanDerWaalsContact O-CB 3.25Å; K773-A777 WeakPolarHBondContact O-CB 3.47Å; K773-A777 PolarHBondContact O-N 3.11Å; K774-A777 PolarHBondContact O-N 2.87Å; A777-L780 PolarHBondContact O-N 2.98Å; A777-T781 WeakPolarHBondContact O-CB 3.41Å; A777-T781 PolarHBondContact O-N 3.25Å; A777-T781 VanDerWaalsContact O-N 3.08Å; A777-T781 PolarHBondContact O-OG1 3.08Å; A777-L849 HydrophobicContact CB-CD1 4.26Å; A777-L849 HydrophobicContact CB-CD2 4.08Å; A777-L849 HydrophobicContact CB-CG 4.07Å; A777-Y1023 HydrophobicContact CB-CE2 3.87Å
778	Y	97.9	Very high	96.3	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.025	C	C	.	.	H	α-helix	trans	-57.8	-55.5	175.9	173.3	-95.9	0	0	0	111.9	K774 I776 L780 T781 D815 P818 A819 L822 Q930 D933 L934	K774-Y778 WeakPolarHBondContact O-CB 3.25Å; K774-Y778 PolarHBondContact O-N 3.33Å; I776-Y778 VanDerWaalsContact C-N 3.31Å; I776-Y778 PolarHBondContact O-N 3Å; Y778-L780 VanDerWaalsContact C-N 3.33Å; Y778-L780 PolarHBondContact O-N 3.46Å; Y778-T781 PolarHBondContact O-N 3.13Å; Y778-D815 HydrophobicContact CE1-CB 3.95Å; Y778-D815 PolarHBondContact OH-OD1 3.29Å; Y778-P818 HydrophobicContact CE1-CB 3.78Å; Y778-P818 HydrophobicContact CE2-CB 4.45Å; Y778-P818 VanDerWaalsContact OH-CB 3.29Å; Y778-P818 WeakPolarHBondContact OH-CB 3.44Å; Y778-A819 HydrophobicContact CD1-CB 3.81Å; Y778-A819 HydrophobicContact CE1-CB 4.12Å; Y778-L822 HydrophobicContact CG-CD1 4.13Å; Y778-Q930 HydrophobicContact CE2-CB 4.24Å; Y778-Q930 VanDerWaalsContact CE2-NE2 3.34Å; Y778-Q930 PolarHBondContact OH-NE2 3.37Å; Y778-D933 WeakPolarHBondContact CA-OD2 3.28Å; Y778-D933 HydrophobicContact CD2-CB 4.28Å; Y778-D933 WeakPolarHBondContact CD2-OD2 3.39Å; Y778-D933 HydrophobicContact CE2-CB 4.37Å; Y778-L934 HydrophobicContact CD2-CB 4.1Å; Y778-L934 HydrophobicContact CD2-CD1 4.13Å; Y778-L934 HydrophobicContact CE2-CB 3.65Å; Y778-L934 HydrophobicContact CE2-CD1 4.04Å; Y778-L934 HydrophobicContact CE2-CG 4.41Å
779	T	95.9	Very high	96.2	Very high	4 Å²	4	4.5 Å²	4.5	3%	0.025	3%	0.025	C	C	.	.	H	α-helix	trans	-66	-34.8	-179	-54.5	0	0	0	0	112.5	P333 L336 S775 I776 T781 S782 N783	P333-T779 HydrophobicContact CB-CG2 4.03Å; L336-T779 HydrophobicContact CB-CG2 4.24Å; L336-T779 HydrophobicContact CD1-CG2 4.37Å; S775-T779 PolarHBondContact O-N 3Å; S775-T779 PolarHBondContact O-OG1 3.29Å; I776-T779 PolarHBondContact O-N 3.38Å; T779-T781 VanDerWaalsContact C-N 3.28Å; T779-T781 PolarHBondContact O-N 2.67Å; T779-S782 PolarHBondContact O-OG 2.82Å; T779-N783 PolarHBondContact O-OD1 3.39Å
780	L	95.3	Very high	95.9	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-72	-22.3	178.1	-75.6	-177.4	0	0	0	113.2	F291 I295 P333 I776 A777 Y778 L849 I850 A853 Y854	F291-L780 HydrophobicContact CE2-CD1 3.85Å; F291-L780 HydrophobicContact CE2-CD2 4.12Å; F291-L780 HydrophobicContact CE2-CG 4.45Å; F291-L780 HydrophobicContact CZ-CD2 4.24Å; I295-L780 HydrophobicContact CD1-CD1 4.31Å; I295-L780 HydrophobicContact CD1-CD2 3.77Å; I295-L780 HydrophobicContact CG1-CD2 4.36Å; P333-L780 HydrophobicContact CB-CD2 4.47Å; P333-L780 HydrophobicContact CG-CD2 4.09Å; I776-L780 HydrophobicContact CG2-CD1 3.51Å; I776-L780 HydrophobicContact CG2-CG 3.97Å; I776-L780 VanDerWaalsContact O-CB 3.25Å; I776-L780 WeakPolarHBondContact O-CB 3.4Å; I776-L780 VanDerWaalsContact O-CG 3.23Å; I776-L780 WeakPolarHBondContact O-CG 3.45Å; I776-L780 PolarHBondContact O-N 3.16Å; A777-L780 PolarHBondContact O-N 2.98Å; Y778-L780 VanDerWaalsContact C-N 3.33Å; Y778-L780 PolarHBondContact O-N 3.46Å; L780-L849 HydrophobicContact CD1-CD2 3.86Å; L780-I850 HydrophobicContact CD1-CD1 4.14Å; L780-A853 HydrophobicContact CB-CB 4.36Å; L780-Y854 HydrophobicContact CB-CD1 4.41Å; L780-Y854 HydrophobicContact CB-CE1 3.86Å; L780-Y854 HydrophobicContact CD2-CE1 4.15Å; L780-Y854 HydrophobicContact CG-CE1 4.46Å; L780-Y854 WeakPolarHBondContact O-CD1 3.45Å; L780-Y854 WeakPolarHBondContact O-CE1 3.5Å
781	T	97.5	Very high	95.6	Very high	2 Å²	2	5.4 Å²	5.4	1%	0.012	3%	0.029	C	C	.	.	H	α-helix	trans	-71	-35.4	-176.9	-63.3	0	0	0	0	111.3	A777 Y778 T779 N783 P785 A853 I857 G858 Q861	A777-T781 WeakPolarHBondContact O-CB 3.41Å; A777-T781 PolarHBondContact O-N 3.25Å; A777-T781 VanDerWaalsContact O-N 3.08Å; A777-T781 PolarHBondContact O-OG1 3.08Å; Y778-T781 PolarHBondContact O-N 3.13Å; T779-T781 VanDerWaalsContact C-N 3.28Å; T779-T781 PolarHBondContact O-N 2.67Å; T781-N783 VanDerWaalsContact C-N 3.32Å; T781-N783 PolarHBondContact O-N 3.17Å; T781-P785 WeakPolarHBondContact O-CD 3.49Å; T781-A853 WeakPolarHBondContact OG1-CA 3.47Å; T781-A853 VanDerWaalsContact OG1-CB 3.25Å; T781-A853 WeakPolarHBondContact OG1-CB 3.47Å; T781-I857 HydrophobicContact CG2-CB 3.69Å; T781-I857 HydrophobicContact CG2-CG2 3.54Å; T781-G858 WeakPolarHBondContact O-CA 3.49Å; T781-Q861 PolarHBondContact O-OE1 3.33Å
782	S	96.4	Very high	95.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-71.3	-20.1	178.4	57.4	0	0	0	0	113.9	T779 I784 P785 E786 D815	T779-S782 PolarHBondContact O-OG 2.82Å; S782-I784 PolarHBondContact O-N 3.21Å; S782-I784 VanDerWaalsContact O-N 3.17Å; S782-P785 WeakPolarHBondContact O-CD 3.22Å; S782-P785 WeakPolarHBondContact O-CG 3.42Å; S782-E786 WeakPolarHBondContact CB-OE1 3.43Å; S782-E786 WeakPolarHBondContact O-CG 3.36Å; S782-E786 PolarHBondContact O-N 3.46Å; S782-D815 PolarHBondContact OG-OD2 2.71Å
783	N	94.9	Very high	95.2	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-58	-34.1	175.2	-69.6	67	0	0	0	112.9	A330 N331 T779 T781 E786 I787 Y854	A330-N783 PolarHBondContact O-ND2 3.27Å; N331-N783 PolarHBondContact O-ND2 3.24Å; T779-N783 PolarHBondContact O-OD1 3.39Å; T781-N783 VanDerWaalsContact C-N 3.32Å; T781-N783 PolarHBondContact O-N 3.17Å; N783-E786 PolarHBondContact O-N 3.45Å; N783-I787 HydrophobicContact CB-CD1 4.09Å; N783-I787 WeakPolarHBondContact O-CB 3.33Å; N783-I787 VanDerWaalsContact O-CD1 3.23Å; N783-I787 WeakPolarHBondContact O-CD1 3.44Å; N783-I787 WeakPolarHBondContact O-CG1 3.25Å; N783-I787 PolarHBondContact O-N 2.86Å; N783-Y854 HydrophobicContact CB-CE1 4.22Å
784	I	96.3	Very high	94.8	Very high	22 Å²	22	8.6 Å²	8.6	11%	0.113	5%	0.046	C	C	.	.	H	α-helix	trans	-67.7	-50.6	-178.8	-63.7	-60	0	0	0	113.5	S782 E786 I787 S788 Y854 G858 M859 A862	S782-I784 PolarHBondContact O-N 3.21Å; S782-I784 VanDerWaalsContact O-N 3.17Å; I784-E786 PolarHBondContact O-N 3.36Å; I784-I787 PolarHBondContact O-N 2.81Å; I784-S788 VanDerWaalsContact O-CB 3.29Å; I784-S788 WeakPolarHBondContact O-CB 3.49Å; I784-S788 PolarHBondContact O-N 3.47Å; I784-S788 PolarHBondContact O-OG 3.47Å; I784-Y854 HydrophobicContact CD1-CD1 4.47Å; I784-Y854 HydrophobicContact CD1-CD2 3.54Å; I784-Y854 HydrophobicContact CD1-CE2 4.12Å; I784-Y854 HydrophobicContact CD1-CG 3.73Å; I784-Y854 HydrophobicContact CG1-CD1 4.35Å; I784-Y854 HydrophobicContact CG1-CD2 4.27Å; I784-Y854 HydrophobicContact CG1-CG 3.96Å; I784-Y854 WeakPolarHBondContact CG1-O 3.39Å; I784-G858 VanDerWaalsContact CG2-C 3.46Å; I784-G858 WeakPolarHBondContact CG2-O 3.46Å; I784-M859 HydrophobicContact CG2-CG 4.48Å; I784-M859 HydrophobicContact CG2-SD 3.64Å; I784-A862 HydrophobicContact CG2-CB 4.14Å
785	P	96.8	Very high	94.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-62.2	-15.7	171.9	23.8	-33.4	0	0	0	113.3	T781 S782 P789 Q861 A862 F922 I926	T781-P785 WeakPolarHBondContact O-CD 3.49Å; S782-P785 WeakPolarHBondContact O-CD 3.22Å; S782-P785 WeakPolarHBondContact O-CG 3.42Å; P785-P789 WeakPolarHBondContact O-CD 3.47Å; P785-P789 WeakPolarHBondContact O-CG 3.47Å; P785-Q861 HydrophobicContact CB-CB 4.15Å; P785-Q861 HydrophobicContact CG-CB 3.74Å; P785-A862 HydrophobicContact CB-CB 4.3Å; P785-F922 HydrophobicContact CB-CE1 4.15Å; P785-F922 WeakPolarHBondContact O-CE1 3.29Å; P785-I926 HydrophobicContact CB-CD1 3.99Å; P785-I926 HydrophobicContact CB-CG1 3.92Å; P785-I926 HydrophobicContact CG-CD1 4.29Å; P785-I926 HydrophobicContact CG-CG1 4.17Å
786	E	94.6	Very high	94.3	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-87.9	-39.8	175.3	-65.7	159.4	-164.9	0	0	113.3	S782 N783 I784 P789 L802 I807 I810 I926	S782-E786 WeakPolarHBondContact CB-OE1 3.43Å; S782-E786 WeakPolarHBondContact O-CG 3.36Å; S782-E786 PolarHBondContact O-N 3.46Å; N783-E786 PolarHBondContact O-N 3.45Å; I784-E786 PolarHBondContact O-N 3.36Å; E786-P789 WeakPolarHBondContact O-CD 3.21Å; E786-L802 HydrophobicContact CB-CD2 4.3Å; E786-L802 HydrophobicContact CG-CD2 4.12Å; E786-I807 HydrophobicContact CB-CD1 4.05Å; E786-I807 HydrophobicContact CB-CG1 4.02Å; E786-I807 HydrophobicContact CB-CG2 4.44Å; E786-I807 HydrophobicContact CG-CG1 4.08Å; E786-I807 HydrophobicContact CG-CG2 4.33Å; E786-I810 HydrophobicContact CG-CD1 4.23Å; E786-I810 WeakPolarHBondContact OE1-CG2 3.05Å; E786-I926 HydrophobicContact CG-CD1 4.22Å
787	I	93.4	Very high	94.1	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.015	9%	0.086	C	C	.	.	H	α-helix	trans	-74.4	-45.6	178.8	-64.5	156.8	0	0	0	111	A330 N331 N783 I784 P789 F790 L791	A330-I787 HydrophobicContact CB-CB 4.49Å; A330-I787 HydrophobicContact CB-CG1 3.75Å; A330-I787 VanDerWaalsContact O-CG1 3.32Å; A330-I787 WeakPolarHBondContact O-CG1 3.37Å; N331-I787 HydrophobicContact CB-CD1 4.3Å; N331-I787 WeakPolarHBondContact ND2-CD1 3.44Å; N331-I787 WeakPolarHBondContact OD1-CD1 3.44Å; N783-I787 HydrophobicContact CB-CD1 4.09Å; N783-I787 WeakPolarHBondContact O-CB 3.33Å; N783-I787 VanDerWaalsContact O-CD1 3.23Å; N783-I787 WeakPolarHBondContact O-CD1 3.44Å; N783-I787 WeakPolarHBondContact O-CG1 3.25Å; N783-I787 PolarHBondContact O-N 2.86Å; I784-I787 PolarHBondContact O-N 2.81Å; I787-P789 VanDerWaalsContact C-CD 3.49Å; I787-F790 PolarHBondContact O-N 3.06Å; I787-L791 HydrophobicContact CG2-CD1 4Å; I787-L791 HydrophobicContact CG2-CD2 4.02Å; I787-L791 HydrophobicContact CG2-CG 3.94Å; I787-L791 PolarHBondContact O-N 3.22Å
788	S	95	Very high	94	Very high	17 Å²	17	15.8 Å²	15.8	12%	0.119	9%	0.086	C	C	.	.	H	α-helix	trans	-58.7	-33.7	-172.6	56.3	0	0	0	0	115	I784 F790 L791 L792 A862	I784-S788 VanDerWaalsContact O-CB 3.29Å; I784-S788 WeakPolarHBondContact O-CB 3.49Å; I784-S788 PolarHBondContact O-N 3.47Å; I784-S788 PolarHBondContact O-OG 3.47Å; S788-F790 VanDerWaalsContact C-N 3.35Å; S788-F790 PolarHBondContact O-N 3.27Å; S788-L791 PolarHBondContact O-N 2.8Å; S788-L792 PolarHBondContact O-N 3.5Å; S788-A862 VanDerWaalsContact OG-CB 3.32Å; S788-A862 WeakPolarHBondContact OG-CB 3.33Å
789	P	94.3	Very high	93.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-49.1	-48.6	166.5	-34.1	38.4	0	0	0	114.2	P785 E786 I787 F793 P801 L802 F866 F922	P785-P789 WeakPolarHBondContact O-CD 3.47Å; P785-P789 WeakPolarHBondContact O-CG 3.47Å; E786-P789 WeakPolarHBondContact O-CD 3.21Å; I787-P789 VanDerWaalsContact C-CD 3.49Å; P789-F793 WeakPolarHBondContact O-CB 3.5Å; P789-F793 PolarHBondContact O-N 2.77Å; P789-P801 HydrophobicContact CB-CB 4.01Å; P789-P801 HydrophobicContact CB-CG 4.13Å; P789-P801 HydrophobicContact CG-CB 4.42Å; P789-L802 HydrophobicContact CB-CB 3.77Å; P789-L802 HydrophobicContact CG-CB 3.66Å; P789-L802 HydrophobicContact CG-CD2 4.31Å; P789-F866 HydrophobicContact CG-CZ 4.38Å; P789-F922 HydrophobicContact CG-CE1 4.04Å; P789-F922 HydrophobicContact CG-CE2 4.02Å; P789-F922 HydrophobicContact CG-CZ 3.62Å
790	F	90.3	Very high	93.7	Very high	14 Å²	14	16.9 Å²	16.9	6%	0.061	9%	0.091	C	C	.	.	H	α-helix	trans	-67.5	-37.2	178.8	-75	-91.3	0	0	0	111.7	I327 I787 S788 F793 I794 L800 I807	I327-F790 HydrophobicContact CG1-CB 4.28Å; I787-F790 PolarHBondContact O-N 3.06Å; S788-F790 VanDerWaalsContact C-N 3.35Å; S788-F790 PolarHBondContact O-N 3.27Å; F790-F793 WeakPolarHBondContact O-CB 3.18Å; F790-F793 PolarHBondContact O-N 2.74Å; F790-I794 WeakPolarHBondContact O-CD1 3.48Å; F790-I794 VanDerWaalsContact O-CG1 3.23Å; F790-I794 WeakPolarHBondContact O-CG1 3.46Å; F790-I794 PolarHBondContact O-N 3.46Å; F790-I794 VanDerWaalsContact O-N 3.11Å; F790-L800 HydrophobicContact CD1-CD1 4.31Å; F790-L800 HydrophobicContact CE1-CD1 4.25Å; F790-L800 HydrophobicContact CZ-CD1 4.48Å; F790-I807 HydrophobicContact CE2-CD1 3.74Å
791	L	91.5	Very high	93.6	Very high	33 Å²	33	16.9 Å²	16.9	17%	0.173	9%	0.091	C	C	.	.	H	α-helix	trans	-65.3	-46.6	178.5	-51.1	-172.4	0	0	0	111.4	F306 I327 I787 S788 I794 I795	F306-L791 HydrophobicContact CD1-CB 4.49Å; F306-L791 HydrophobicContact CD1-CD2 3.68Å; F306-L791 HydrophobicContact CD2-CD2 3.92Å; F306-L791 HydrophobicContact CE1-CB 3.71Å; F306-L791 HydrophobicContact CE1-CD1 4.4Å; F306-L791 HydrophobicContact CE1-CD2 3.53Å; F306-L791 HydrophobicContact CE1-CG 4.03Å; F306-L791 HydrophobicContact CE2-CD1 4.22Å; F306-L791 HydrophobicContact CE2-CD2 3.8Å; F306-L791 HydrophobicContact CE2-CG 4.5Å; F306-L791 HydrophobicContact CG-CD2 3.87Å; F306-L791 HydrophobicContact CZ-CB 3.96Å; F306-L791 HydrophobicContact CZ-CD1 3.85Å; F306-L791 HydrophobicContact CZ-CD2 3.61Å; F306-L791 HydrophobicContact CZ-CG 3.98Å; I327-L791 HydrophobicContact CD1-CD2 4Å; I327-L791 HydrophobicContact CG1-CD2 4.28Å; I787-L791 HydrophobicContact CG2-CD1 4Å; I787-L791 HydrophobicContact CG2-CD2 4.02Å; I787-L791 HydrophobicContact CG2-CG 3.94Å; I787-L791 PolarHBondContact O-N 3.22Å; S788-L791 PolarHBondContact O-N 2.8Å; L791-I794 PolarHBondContact O-N 3.35Å; L791-I795 WeakPolarHBondContact O-CB 3.35Å; L791-I795 WeakPolarHBondContact O-CG1 3.29Å; L791-I795 PolarHBondContact O-N 2.84Å
792	L	92.3	Very high	93.5	Very high	65 Å²	65	16.8 Å²	16.8	34%	0.34	9%	0.091	S	C	.	.	H	α-helix	trans	-71	-33.9	178.1	-85.5	177.6	0	0	0	112.6	S788 I794 I795 A796 I798 F866	S788-L792 PolarHBondContact O-N 3.5Å; L792-I794 VanDerWaalsContact C-N 3.27Å; L792-I794 PolarHBondContact O-N 3.15Å; L792-I795 PolarHBondContact O-N 3Å; L792-A796 HydrophobicContact CD2-CB 4.33Å; L792-A796 WeakPolarHBondContact O-CA 3.47Å; L792-A796 VanDerWaalsContact O-CB 3.31Å; L792-A796 WeakPolarHBondContact O-CB 3.24Å; L792-A796 PolarHBondContact O-N 3.33Å; L792-I798 HydrophobicContact CB-CD1 4.18Å; L792-F866 HydrophobicContact CB-CE1 4.02Å; L792-F866 HydrophobicContact CB-CZ 3.94Å; L792-F866 HydrophobicContact CD1-CD1 3.92Å; L792-F866 HydrophobicContact CD1-CD2 4.16Å; L792-F866 HydrophobicContact CD1-CE1 3.38Å; L792-F866 HydrophobicContact CD1-CE2 3.7Å; L792-F866 HydrophobicContact CD1-CG 4.3Å; L792-F866 HydrophobicContact CD1-CZ 3.29Å; L792-F866 HydrophobicContact CG-CE1 4.3Å; L792-F866 HydrophobicContact CG-CZ 4.06Å
793	F	91.5	Very high	93.1	Very high	14 Å²	14	17.2 Å²	17.2	6%	0.061	10%	0.095	C	C	.	.	H	α-helix	trans	-55.9	-41.4	170.6	173.9	-110.6	0	0	0	112.3	F323 P789 F790 N797 I798 L800 R887	F323-F793 HydrophobicContact CD1-CE1 4.22Å; F323-F793 HydrophobicContact CE1-CD1 4.29Å; F323-F793 AromaticContact CE1-CE1 3.59Å; F323-F793 HydrophobicContact CE1-CE1 3.59Å; F323-F793 HydrophobicContact CZ-CE1 4.21Å; P789-F793 WeakPolarHBondContact O-CB 3.5Å; P789-F793 PolarHBondContact O-N 2.77Å; F790-F793 WeakPolarHBondContact O-CB 3.18Å; F790-F793 PolarHBondContact O-N 2.74Å; F793-N797 WeakPolarHBondContact O-CA 3.42Å; F793-N797 PolarHBondContact O-N 2.88Å; F793-I798 WeakPolarHBondContact CD2-O 3.37Å; F793-L800 HydrophobicContact CB-CD1 4.03Å; F793-L800 HydrophobicContact CD1-CD1 4.11Å; F793-L800 HydrophobicContact CD2-CB 3.88Å; F793-L800 HydrophobicContact CD2-CD1 3.98Å; F793-L800 HydrophobicContact CE1-CD1 4.47Å; F793-L800 HydrophobicContact CE2-CB 3.85Å; F793-L800 HydrophobicContact CE2-CD1 4.41Å; F793-L800 HydrophobicContact CG-CD1 3.81Å; F793-L800 HydrophobicContact CZ-CB 4.47Å; F793-R887 VanDerWaalsContact CE2-CD 3.4Å; F793-R887 HydrophobicContact CE2-CG 3.88Å; F793-R887 VanDerWaalsContact CE2-NE 3.28Å; F793-R887 HydrophobicContact CZ-CG 4.48Å
794	I	89.1	Confident	92.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-76.1	-48.2	179.1	-63.9	162.8	0	0	0	111.6	F306 L313 Y315 F323 I327 F790 L791 L792	F306-I794 HydrophobicContact CD1-CD1 4.31Å; L313-I794 HydrophobicContact CD1-CG2 4.28Å; Y315-I794 HydrophobicContact CE2-CG2 4.05Å; Y315-I794 PolarHBondContact OH-O 3.05Å; F323-I794 HydrophobicContact CB-CD1 3.76Å; F323-I794 HydrophobicContact CB-CG1 4.46Å; F323-I794 HydrophobicContact CD1-CG1 4.44Å; F323-I794 HydrophobicContact CD2-CD1 3.89Å; F323-I794 HydrophobicContact CD2-CG1 3.76Å; F323-I794 HydrophobicContact CE2-CG1 4.14Å; F323-I794 HydrophobicContact CG-CD1 3.81Å; F323-I794 HydrophobicContact CG-CG1 3.96Å; I327-I794 HydrophobicContact CD1-CD1 3.96Å; F790-I794 WeakPolarHBondContact O-CD1 3.48Å; F790-I794 VanDerWaalsContact O-CG1 3.23Å; F790-I794 WeakPolarHBondContact O-CG1 3.46Å; F790-I794 PolarHBondContact O-N 3.46Å; F790-I794 VanDerWaalsContact O-N 3.11Å; L791-I794 PolarHBondContact O-N 3.35Å; L792-I794 VanDerWaalsContact C-N 3.27Å; L792-I794 PolarHBondContact O-N 3.15Å
795	I	91.9	Very high	92.1	Very high	90 Å²	90	21 Å²	21	46%	0.462	12%	0.119	S	C	.	.	H	α-helix	trans	-74.5	-47	-172.5	-66.9	171.7	0	0	0	111.7	F306 L309 L791 L792	F306-I795 HydrophobicContact CE1-CD1 3.63Å; F306-I795 HydrophobicContact CE1-CG1 4.03Å; F306-I795 HydrophobicContact CZ-CD1 4.05Å; L309-I795 HydrophobicContact CD2-CD1 4.43Å; L309-I795 HydrophobicContact CD2-CG1 4.12Å; L791-I795 WeakPolarHBondContact O-CB 3.35Å; L791-I795 WeakPolarHBondContact O-CG1 3.29Å; L791-I795 PolarHBondContact O-N 2.84Å; L792-I795 PolarHBondContact O-N 3Å
796	A	92	Very high	91.8	Very high	22 Å²	22	21.1 Å²	21.1	18%	0.182	12%	0.12	C	C	.	.	H	α-helix	trans	-95.4	-5.7	-172.3	0	0	0	0	0	113.4	L792 I798 L884 G885	L792-A796 HydrophobicContact CD2-CB 4.33Å; L792-A796 WeakPolarHBondContact O-CA 3.47Å; L792-A796 VanDerWaalsContact O-CB 3.31Å; L792-A796 WeakPolarHBondContact O-CB 3.24Å; L792-A796 PolarHBondContact O-N 3.33Å; A796-I798 HydrophobicContact CB-CG2 3.88Å; A796-I798 PolarHBondContact O-N 2.92Å; A796-L884 HydrophobicContact CB-CD2 3.94Å; A796-G885 PolarHBondContact O-N 3.16Å; A796-G885 VanDerWaalsContact O-N 3.14Å
797	N	92	Very high	91.6	Very high	41 Å²	41	21.2 Å²	21.2	22%	0.219	12%	0.121	C	C	.	.			trans	50.5	43.5	-177	-78.9	-72.4	0	0	0	112.2	Y315 F793 G885 I886 R887	Y315-N797 PolarHBondContact OH-OD1 3.18Å; F793-N797 WeakPolarHBondContact O-CA 3.42Å; F793-N797 PolarHBondContact O-N 2.88Å; N797-G885 CarbonylContact O-C 3.52Å; N797-G885 WeakPolarHBondContact O-CA 3.21Å; N797-G885 PolarHBondContact O-N 3.44Å; N797-I886 PolarHBondContact O-N 3.03Å; N797-R887 VanDerWaalsContact C-CB 3.44Å; N797-R887 HydrophobicContact CB-CB 4.28Å; N797-R887 WeakPolarHBondContact O-CB 3.14Å; N797-R887 PolarHBondContact O-N 3.4Å
798	I	94.9	Very high	91.4	Very high	4 Å²	4	22 Å²	22	2%	0.021	13%	0.125	C	C	.	.	P	Polyproline II helix	trans	-93.4	163.2	174.8	62.2	173.4	0	0	0	110.3	L792 F793 A796 P801 Y869 L883 L884	L792-I798 HydrophobicContact CB-CD1 4.18Å; F793-I798 WeakPolarHBondContact CD2-O 3.37Å; A796-I798 HydrophobicContact CB-CG2 3.88Å; A796-I798 PolarHBondContact O-N 2.92Å; I798-P801 HydrophobicContact CD1-CG 4.11Å; I798-Y869 HydrophobicContact CD1-CE1 4.11Å; I798-L883 HydrophobicContact CG2-CB 4.16Å; I798-L883 WeakPolarHBondContact CG2-O 3.21Å; I798-L884 HydrophobicContact CG2-CD2 4.28Å
799	P	94.3	Very high	91.3	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.006	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-58.6	145.6	171.5	-24.9	35.8	0	0	0	111.6	P801 Y869 L883 I886 W890	P799-P801 WeakPolarHBondContact O-CD 3.19Å; P799-Y869 VanDerWaalsContact CD-OH 3.28Å; P799-Y869 WeakPolarHBondContact CD-OH 3.31Å; P799-Y869 PolarHBondContact O-OH 3.02Å; P799-L883 HydrophobicContact CG-CD2 4.46Å; P799-I886 VanDerWaalsContact CD-CG2 3.49Å; P799-I886 HydrophobicContact CG-CG2 3.76Å; P799-W890 HydrophobicContact CB-CD2 4Å; P799-W890 HydrophobicContact CB-CG 4.14Å; P799-W890 HydrophobicContact CB-CZ2 4.23Å; P799-W890 HydrophobicContact CG-CB 4.47Å; P799-W890 HydrophobicContact CG-CD2 3.53Å; P799-W890 HydrophobicContact CG-CE3 3.77Å; P799-W890 HydrophobicContact CG-CG 3.85Å; P799-W890 HydrophobicContact CG-CH2 4.43Å; P799-W890 HydrophobicContact CG-CZ2 4.23Å; P799-W890 HydrophobicContact CG-CZ3 4.21Å
800	L	92.4	Very high	91.3	Very high	26 Å²	26	21.9 Å²	21.9	14%	0.136	12%	0.124	C	C	.	.	P	Polyproline II helix	trans	-58.9	120.8	-174.3	-175.6	63.8	0	0	0	110.7	F790 F793 L802 H919	F790-L800 HydrophobicContact CD1-CD1 4.31Å; F790-L800 HydrophobicContact CE1-CD1 4.25Å; F790-L800 HydrophobicContact CZ-CD1 4.48Å; F793-L800 HydrophobicContact CB-CD1 4.03Å; F793-L800 HydrophobicContact CD1-CD1 4.11Å; F793-L800 HydrophobicContact CD2-CB 3.88Å; F793-L800 HydrophobicContact CD2-CD1 3.98Å; F793-L800 HydrophobicContact CE1-CD1 4.47Å; F793-L800 HydrophobicContact CE2-CB 3.85Å; F793-L800 HydrophobicContact CE2-CD1 4.41Å; F793-L800 HydrophobicContact CG-CD1 3.81Å; F793-L800 HydrophobicContact CZ-CB 4.47Å; L800-L802 WeakPolarHBondContact CG-O 3.41Å; L800-H919 PolarHBondContact O-CD2 2.94Å; L800-H919 PolarHBondContact O-NE2 3.25Å
801	P	94.9	Very high	91.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-76.6	-31.7	-177.1	-19	32.1	0	0	0	114.8	P789 I798 P799 F866 Y869 H919 F922	P789-P801 HydrophobicContact CB-CB 4.01Å; P789-P801 HydrophobicContact CB-CG 4.13Å; P789-P801 HydrophobicContact CG-CB 4.42Å; I798-P801 HydrophobicContact CD1-CG 4.11Å; P799-P801 WeakPolarHBondContact O-CD 3.19Å; P801-F866 HydrophobicContact CB-CE1 4.15Å; P801-F866 HydrophobicContact CG-CE1 3.73Å; P801-F866 HydrophobicContact CG-CZ 4.46Å; P801-Y869 HydrophobicContact CB-CD2 3.64Å; P801-Y869 HydrophobicContact CB-CE2 3.81Å; P801-Y869 HydrophobicContact CB-CG 4.13Å; P801-Y869 HydrophobicContact CG-CD2 4.25Å; P801-Y869 HydrophobicContact CG-CE2 3.97Å; P801-H919 VanDerWaalsContact C-CD2 3.5Å; P801-H919 PolarHBondContact O-CD2 3.42Å; P801-H919 VanDerWaalsContact O-CD2 3.31Å; P801-F922 HydrophobicContact CB-CD2 3.92Å; P801-F922 HydrophobicContact CB-CE2 3.97Å
802	L	93.9	Very high	91.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-142.4	132.5	-178.5	-171.2	72.5	0	0	0	109.6	E786 P789 L800 T806 I807 F922 F923 I926	E786-L802 HydrophobicContact CB-CD2 4.3Å; E786-L802 HydrophobicContact CG-CD2 4.12Å; P789-L802 HydrophobicContact CB-CB 3.77Å; P789-L802 HydrophobicContact CG-CB 3.66Å; P789-L802 HydrophobicContact CG-CD2 4.31Å; L800-L802 WeakPolarHBondContact CG-O 3.41Å; L802-T806 WeakPolarHBondContact CD1-OG1 3.47Å; L802-T806 WeakPolarHBondContact CG-OG1 3.38Å; L802-I807 HydrophobicContact CD2-CD1 4.32Å; L802-I807 HydrophobicContact CD2-CG1 3.7Å; L802-I807 HydrophobicContact CG-CG1 4.23Å; L802-F922 HydrophobicContact CB-CD1 4.3Å; L802-F922 HydrophobicContact CB-CG 4.35Å; L802-F922 HydrophobicContact CD1-CB 3.99Å; L802-F922 HydrophobicContact CD1-CD1 3.97Å; L802-F922 HydrophobicContact CD1-CG 4.22Å; L802-F922 HydrophobicContact CD2-CD1 4.26Å; L802-F922 HydrophobicContact CD2-CE1 4.47Å; L802-F922 HydrophobicContact CG-CD1 4.41Å; L802-F923 HydrophobicContact CD1-CB 4.39Å; L802-I926 HydrophobicContact CD2-CD1 4.06Å
803	G	88.3	Confident	91.3	Very high	9 Å²	9	20.7 Å²	20.7	9%	0.093	12%	0.123	C	C	.	.			trans	-90.8	162.2	-179.7	0	0	0	0	0	113.4	V805 T806 I807	G803-V805 VanDerWaalsContact C-N 3.34Å; G803-V805 PolarHBondContact O-N 3.39Å; G803-T806 PolarHBondContact N-OG1 3.2Å; G803-T806 VanDerWaalsContact N-OG1 3.09Å; G803-T806 PolarHBondContact O-N 2.88Å; G803-T806 PolarHBondContact O-OG1 3.39Å; G803-I807 PolarHBondContact O-N 2.96Å
804	T	83.9	Confident	91.5	Very high	33 Å²	33	20 Å²	20	20%	0.202	12%	0.12	C	C	.	.	H	α-helix	trans	-65.7	-35.4	179.2	-40.6	0	0	0	0	112.9	L132 V329 T806 I807 L808	L132-T804 HydrophobicContact CD1-CG2 3.58Å; L132-T804 HydrophobicContact CD2-CG2 3.7Å; L132-T804 HydrophobicContact CG-CG2 4.31Å; V329-T804 HydrophobicContact CG1-CG2 4.19Å; T804-T806 VanDerWaalsContact C-N 3.3Å; T804-T806 PolarHBondContact O-N 2.97Å; T804-I807 PolarHBondContact O-N 3.43Å; T804-L808 PolarHBondContact O-N 3.19Å
805	V	86.8	Confident	91.8	Very high	69 Å²	69	20.1 Å²	20.1	42%	0.418	12%	0.121	S	C	.	.	H	α-helix	trans	-64.3	-37.6	176.6	177.3	0	0	0	0	111.2	G803 L808 C809 L978	G803-V805 VanDerWaalsContact C-N 3.34Å; G803-V805 PolarHBondContact O-N 3.39Å; V805-L808 PolarHBondContact O-N 2.83Å; V805-C809 PolarHBondContact O-N 3.4Å; V805-C809 VanDerWaalsContact O-N 3.14Å; V805-C809 PolarHBondContact O-SG 3.39Å; V805-L978 HydrophobicContact CG1-CB 4.16Å; V805-L978 HydrophobicContact CG1-CD2 3.83Å
806	T	91.2	Very high	91.8	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.018	11%	0.108	C	C	.	.	H	α-helix	trans	-69.8	-32.2	177.6	48.4	0	0	0	0	112.5	L802 G803 T804 C809 I810 H919 M980	L802-T806 WeakPolarHBondContact CD1-OG1 3.47Å; L802-T806 WeakPolarHBondContact CG-OG1 3.38Å; G803-T806 PolarHBondContact N-OG1 3.2Å; G803-T806 VanDerWaalsContact N-OG1 3.09Å; G803-T806 PolarHBondContact O-N 2.88Å; G803-T806 PolarHBondContact O-OG1 3.39Å; T804-T806 VanDerWaalsContact C-N 3.3Å; T804-T806 PolarHBondContact O-N 2.97Å; T806-C809 WeakPolarHBondContact O-CB 3.44Å; T806-C809 PolarHBondContact O-N 3.24Å; T806-I810 WeakPolarHBondContact O-CG1 3.26Å; T806-I810 PolarHBondContact O-N 2.95Å; T806-H919 HydrophobicContact CG2-CB 4.04Å; T806-M980 HydrophobicContact CG2-CE 3.71Å
807	I	90.7	Very high	92	Very high	1 Å²	1	18.7 Å²	18.7	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-61.4	-49.9	171.7	-66.1	173.4	0	0	0	110	A330 E786 F790 L802 G803 T804 C809 I810 D811	A330-I807 HydrophobicContact CB-CD1 4.01Å; E786-I807 HydrophobicContact CB-CD1 4.05Å; E786-I807 HydrophobicContact CB-CG1 4.02Å; E786-I807 HydrophobicContact CB-CG2 4.44Å; E786-I807 HydrophobicContact CG-CG1 4.08Å; E786-I807 HydrophobicContact CG-CG2 4.33Å; F790-I807 HydrophobicContact CE2-CD1 3.74Å; L802-I807 HydrophobicContact CD2-CD1 4.32Å; L802-I807 HydrophobicContact CD2-CG1 3.7Å; L802-I807 HydrophobicContact CG-CG1 4.23Å; G803-I807 PolarHBondContact O-N 2.96Å; T804-I807 PolarHBondContact O-N 3.43Å; I807-C809 PolarHBondContact O-N 2.96Å; I807-C809 VanDerWaalsContact O-N 3.14Å; I807-I810 WeakPolarHBondContact O-CA 3.38Å; I807-I810 WeakPolarHBondContact O-CB 3.42Å; I807-I810 PolarHBondContact O-N 2.9Å; I807-D811 WeakPolarHBondContact CG2-OD2 3.37Å; I807-D811 PolarHBondContact O-N 2.97Å; I807-D811 VanDerWaalsContact O-N 3.07Å
808	L	88.1	Confident	92.3	Very high	19 Å²	19	16.8 Å²	16.8	10%	0.099	10%	0.101	C	C	.	.	H	α-helix	trans	-59.9	-30.3	177.5	-65	173.5	0	0	0	113.2	L132 V135 L136 T804 V805 I810 L812	L132-L808 HydrophobicContact CD1-CD1 3.79Å; V135-L808 HydrophobicContact CB-CD1 4.5Å; V135-L808 HydrophobicContact CG1-CD1 3.81Å; L136-L808 HydrophobicContact CD2-CD2 4.41Å; T804-L808 PolarHBondContact O-N 3.19Å; V805-L808 PolarHBondContact O-N 2.83Å; L808-I810 PolarHBondContact O-N 2.96Å; L808-L812 HydrophobicContact CD2-CD1 4.13Å; L808-L812 WeakPolarHBondContact O-CB 3.29Å; L808-L812 PolarHBondContact O-N 3Å; L808-L812 VanDerWaalsContact O-N 3.09Å
809	C	92.8	Very high	92.4	Very high	16 Å²	16	16.6 Å²	16.6	11%	0.108	10%	0.1	C	C	.	.	H	α-helix	trans	-68.5	-24.3	174.2	-64.6	0	0	0	0	112.9	V805 T806 I807 G813 T814 F923 L968 M980	V805-C809 PolarHBondContact O-N 3.4Å; V805-C809 VanDerWaalsContact O-N 3.14Å; V805-C809 PolarHBondContact O-SG 3.39Å; T806-C809 WeakPolarHBondContact O-CB 3.44Å; T806-C809 PolarHBondContact O-N 3.24Å; I807-C809 PolarHBondContact O-N 2.96Å; I807-C809 VanDerWaalsContact O-N 3.14Å; C809-G813 CarbonylContact O-C 3.56Å; C809-G813 WeakPolarHBondContact O-CA 3.25Å; C809-G813 PolarHBondContact O-N 3.47Å; C809-T814 PolarHBondContact O-N 2.85Å; C809-F923 HydrophobicContact CB-CD2 4.39Å; C809-F923 HydrophobicContact CB-CE2 3.85Å; C809-F923 HydrophobicContact CB-CZ 4.46Å; C809-L968 HydrophobicContact CB-CD1 4.35Å; C809-M980 HydrophobicContact CB-CE 3.83Å
810	I	94	Very high	92.4	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.108	C	C	.	.	I	π-helix	trans	-79.2	-63.8	175.1	-59.9	164.5	0	0	0	108.6	E786 T806 I807 L808 L812 G813 T814 D815 F923 I926	E786-I810 HydrophobicContact CG-CD1 4.23Å; E786-I810 WeakPolarHBondContact OE1-CG2 3.05Å; T806-I810 WeakPolarHBondContact O-CG1 3.26Å; T806-I810 PolarHBondContact O-N 2.95Å; I807-I810 WeakPolarHBondContact O-CA 3.38Å; I807-I810 WeakPolarHBondContact O-CB 3.42Å; I807-I810 PolarHBondContact O-N 2.9Å; L808-I810 PolarHBondContact O-N 2.96Å; I810-L812 PolarHBondContact O-N 3.44Å; I810-G813 PolarHBondContact O-N 2.9Å; I810-T814 WeakPolarHBondContact CA-OG1 3.42Å; I810-T814 PolarHBondContact O-N 3.36Å; I810-D815 HydrophobicContact CG2-CB 4.41Å; I810-D815 WeakPolarHBondContact CG2-OD2 3.49Å; I810-D815 PolarHBondContact O-N 3.45Å; I810-F923 HydrophobicContact CD1-CD2 3.97Å; I810-F923 HydrophobicContact CG1-CD2 3.47Å; I810-F923 VanDerWaalsContact CG1-CD2 3.47Å; I810-F923 HydrophobicContact CG1-CE2 3.65Å; I810-I926 HydrophobicContact CD1-CB 4.2Å; I810-I926 HydrophobicContact CD1-CD1 3.44Å; I810-I926 VanDerWaalsContact CD1-CD1 3.44Å; I810-I926 HydrophobicContact CD1-CG1 4.41Å; I810-I926 HydrophobicContact CD1-CG2 4.07Å; I810-I926 HydrophobicContact CG2-CG2 4.32Å
811	D	90.5	Very high	92.7	Very high	3 Å²	3	16.8 Å²	16.8	2%	0.016	10%	0.101	C	C	.	.	I	π-helix	trans	-63.5	-36.7	-170.9	-71.7	-55.7	0	0	0	114	G335 I807	G335-D811 WeakPolarHBondContact CA-O 3.31Å; I807-D811 WeakPolarHBondContact CG2-OD2 3.37Å; I807-D811 PolarHBondContact O-N 2.97Å; I807-D811 VanDerWaalsContact O-N 3.07Å
812	L	89.8	Confident	92.8	Very high	63 Å²	63	16.8 Å²	16.8	33%	0.33	10%	0.101	S	C	.	.	I	π-helix	trans	-106.8	-1.9	-177.6	-58.4	171.7	0	0	0	113.2	V139 E334 L808 I810	V139-L812 HydrophobicContact CG1-CD1 4.38Å; V139-L812 HydrophobicContact CG1-CD2 4.31Å; V139-L812 HydrophobicContact CG2-CD1 3.41Å; V139-L812 VanDerWaalsContact CG2-CD1 3.41Å; E334-L812 HydrophobicContact CB-CD2 3.97Å; E334-L812 HydrophobicContact CB-CG 4.31Å; L808-L812 HydrophobicContact CD2-CD1 4.13Å; L808-L812 WeakPolarHBondContact O-CB 3.29Å; L808-L812 PolarHBondContact O-N 3Å; L808-L812 VanDerWaalsContact O-N 3.09Å; I810-L812 PolarHBondContact O-N 3.44Å
813	G	93.6	Very high	92.8	Very high	20 Å²	20	17 Å²	17	21%	0.206	10%	0.103	C	C	.	.	I	π-helix	trans	-120.8	-92.8	-177.3	0	0	0	0	0	111.1	C809 I810 D815 M816	C809-G813 CarbonylContact O-C 3.56Å; C809-G813 WeakPolarHBondContact O-CA 3.25Å; C809-G813 PolarHBondContact O-N 3.47Å; I810-G813 PolarHBondContact O-N 2.9Å; G813-D815 PolarHBondContact O-N 2.84Å; G813-M816 PolarHBondContact O-N 3.14Å
814	T	95.9	Very high	93.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.115	C	C	.	.	I	π-helix	trans	-62.5	-41.7	-168	53.3	0	0	0	0	113.2	C809 I810 M816 P818 F923 V927 E961 L964 A965	C809-T814 PolarHBondContact O-N 2.85Å; I810-T814 WeakPolarHBondContact CA-OG1 3.42Å; I810-T814 PolarHBondContact O-N 3.36Å; T814-M816 VanDerWaalsContact C-N 3.32Å; T814-M816 PolarHBondContact O-N 3.35Å; T814-P818 WeakPolarHBondContact O-CD 3.28Å; T814-P818 WeakPolarHBondContact O-CG 3.23Å; T814-F923 HydrophobicContact CG2-CE2 4.1Å; T814-F923 HydrophobicContact CG2-CZ 3.68Å; T814-V927 HydrophobicContact CG2-CG2 4.09Å; T814-E961 HydrophobicContact CG2-CG 4.4Å; T814-L964 HydrophobicContact CG2-CD2 4.1Å; T814-L964 HydrophobicContact CG2-CG 4.35Å; T814-A965 HydrophobicContact CG2-CB 4.46Å
815	D	95.7	Very high	93.8	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-11.9	-173.3	-86.2	-8.3	0	0	0	114.6	Y778 S782 I810 G813 A819 Q930	Y778-D815 HydrophobicContact CE1-CB 3.95Å; Y778-D815 PolarHBondContact OH-OD1 3.29Å; S782-D815 PolarHBondContact OG-OD2 2.71Å; I810-D815 HydrophobicContact CG2-CB 4.41Å; I810-D815 WeakPolarHBondContact CG2-OD2 3.49Å; I810-D815 PolarHBondContact O-N 3.45Å; G813-D815 PolarHBondContact O-N 2.84Å; D815-A819 WeakPolarHBondContact O-CB 3.4Å; D815-A819 PolarHBondContact O-N 3.07Å; D815-Q930 PolarHBondContact OD1-NE2 3.14Å; D815-Q930 PolarHBondContact OD2-NE2 3.24Å
816	M	92.6	Very high	94.3	Very high	40 Å²	40	18.9 Å²	18.9	20%	0.197	11%	0.109	C	C	.	.	H	α-helix	trans	-62.2	-53.3	-176.2	-73.8	-71.1	-67.3	0	0	112.7	A338 G813 T814 I820	A338-M816 HydrophobicContact CB-CE 4.2Å; G813-M816 PolarHBondContact O-N 3.14Å; T814-M816 VanDerWaalsContact C-N 3.32Å; T814-M816 PolarHBondContact O-N 3.35Å; M816-I820 HydrophobicContact CE-CD1 4.45Å; M816-I820 WeakPolarHBondContact O-CB 3.46Å; M816-I820 WeakPolarHBondContact O-CD1 3.47Å; M816-I820 WeakPolarHBondContact O-CG1 3.43Å; M816-I820 PolarHBondContact O-N 3.31Å
817	V	96.3	Very high	94.5	Very high	42 Å²	42	20.5 Å²	20.5	26%	0.255	12%	0.123	S	C	.	.	H	α-helix	trans	-68.5	-45.8	-177.2	-178.7	0	0	0	0	111.7	A819 I820 S821 F956 E960	V817-A819 PolarHBondContact O-N 3.18Å; V817-I820 PolarHBondContact O-N 2.99Å; V817-S821 WeakPolarHBondContact O-CB 3.25Å; V817-S821 PolarHBondContact O-N 3.08Å; V817-F956 HydrophobicContact CG1-CD1 4.34Å; V817-F956 HydrophobicContact CG1-CE1 4.42Å; V817-E960 WeakPolarHBondContact CB-OE2 3.5Å; V817-E960 WeakPolarHBondContact CG2-OE2 3.31Å
818	P	97.6	Very high	94.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-52.7	-50.4	170.8	-30.5	38.6	0	0	0	113.6	Y778 T814 I820 S821 L822 L934 E961	Y778-P818 HydrophobicContact CE1-CB 3.78Å; Y778-P818 HydrophobicContact CE2-CB 4.45Å; Y778-P818 VanDerWaalsContact OH-CB 3.29Å; Y778-P818 WeakPolarHBondContact OH-CB 3.44Å; T814-P818 WeakPolarHBondContact O-CD 3.28Å; T814-P818 WeakPolarHBondContact O-CG 3.23Å; P818-I820 PolarHBondContact O-N 3.47Å; P818-S821 WeakPolarHBondContact O-CB 3.23Å; P818-S821 PolarHBondContact O-N 3.37Å; P818-S821 VanDerWaalsContact O-N 3.12Å; P818-S821 PolarHBondContact O-OG 3.03Å; P818-L822 PolarHBondContact O-N 3.17Å; P818-L934 HydrophobicContact CB-CD1 3.88Å; P818-L934 HydrophobicContact CB-CD2 3.85Å; P818-L934 HydrophobicContact CB-CG 4.41Å; P818-E961 HydrophobicContact CG-CB 4.08Å; P818-E961 HydrophobicContact CG-CG 4.15Å
819	A	96.3	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-45.4	-178.7	0	0	0	0	0	111.8	T339 S775 Y778 D815 V817 S821 L822	T339-A819 HydrophobicContact CG2-CB 3.78Å; S775-A819 PolarHBondContact OG-O 3.39Å; Y778-A819 HydrophobicContact CD1-CB 3.81Å; Y778-A819 HydrophobicContact CE1-CB 4.12Å; D815-A819 WeakPolarHBondContact O-CB 3.4Å; D815-A819 PolarHBondContact O-N 3.07Å; V817-A819 PolarHBondContact O-N 3.18Å; A819-S821 PolarHBondContact O-N 3.48Å; A819-L822 WeakPolarHBondContact O-CB 3.32Å; A819-L822 PolarHBondContact O-N 3.45Å
820	I	95.8	Very high	95	Very high	32 Å²	32	28.3 Å²	28.3	16%	0.164	17%	0.169	C	C	.	.	H	α-helix	trans	-61.5	-34.7	175.5	-68.1	166.2	0	0	0	111.3	T339 V342 L346 M816 V817 P818 L822 A823	T339-I820 HydrophobicContact CG2-CG1 3.95Å; V342-I820 HydrophobicContact CB-CD1 4.25Å; V342-I820 HydrophobicContact CB-CG1 4.3Å; V342-I820 HydrophobicContact CG1-CD1 4.1Å; V342-I820 HydrophobicContact CG1-CG1 4.24Å; V342-I820 HydrophobicContact CG1-CG2 3.79Å; V342-I820 HydrophobicContact CG2-CD1 4.3Å; L346-I820 HydrophobicContact CD1-CG2 3.92Å; M816-I820 HydrophobicContact CE-CD1 4.45Å; M816-I820 WeakPolarHBondContact O-CB 3.46Å; M816-I820 WeakPolarHBondContact O-CD1 3.47Å; M816-I820 WeakPolarHBondContact O-CG1 3.43Å; M816-I820 PolarHBondContact O-N 3.31Å; V817-I820 PolarHBondContact O-N 2.99Å; P818-I820 PolarHBondContact O-N 3.47Å; I820-L822 PolarHBondContact O-N 3.09Å; I820-A823 WeakPolarHBondContact O-CB 3.26Å; I820-A823 PolarHBondContact O-N 3.12Å; I820-A823 VanDerWaalsContact O-N 3.17Å
821	S	97.6	Very high	95	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64	-27	-178.6	84.9	0	0	0	0	113.5	V817 P818 A819 A823 Y824 N951 L954	V817-S821 WeakPolarHBondContact O-CB 3.25Å; V817-S821 PolarHBondContact O-N 3.08Å; P818-S821 WeakPolarHBondContact O-CB 3.23Å; P818-S821 PolarHBondContact O-N 3.37Å; P818-S821 VanDerWaalsContact O-N 3.12Å; P818-S821 PolarHBondContact O-OG 3.03Å; A819-S821 PolarHBondContact O-N 3.48Å; S821-A823 PolarHBondContact O-N 3.37Å; S821-Y824 WeakPolarHBondContact O-CB 3.45Å; S821-Y824 PolarHBondContact O-N 2.92Å; S821-N951 PolarHBondContact O-ND2 3.35Å; S821-L954 VanDerWaalsContact OG-CA 3.3Å; S821-L954 WeakPolarHBondContact OG-CA 3.46Å; S821-L954 WeakPolarHBondContact OG-CB 3.39Å
822	L	97.4	Very high	95.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-66.8	-21.3	177.9	-70.5	167.1	0	0	0	112.3	K774 Y778 P818 A819 I820 Y824 E825 L934 C937 L954	K774-L822 HydrophobicContact CB-CD1 4.45Å; Y778-L822 HydrophobicContact CG-CD1 4.13Å; P818-L822 PolarHBondContact O-N 3.17Å; A819-L822 WeakPolarHBondContact O-CB 3.32Å; A819-L822 PolarHBondContact O-N 3.45Å; I820-L822 PolarHBondContact O-N 3.09Å; L822-Y824 PolarHBondContact O-N 3.15Å; L822-E825 HydrophobicContact CD2-CG 4.32Å; L822-E825 WeakPolarHBondContact O-CB 3.46Å; L822-E825 WeakPolarHBondContact O-CG 3.46Å; L822-E825 PolarHBondContact O-N 3.27Å; L822-E825 VanDerWaalsContact O-N 3.15Å; L822-L934 HydrophobicContact CD1-CD1 3.9Å; L822-L934 HydrophobicContact CD2-CD1 4.02Å; L822-L934 HydrophobicContact CG-CD1 3.81Å; L822-C937 HydrophobicContact CD1-CB 4.41Å; L822-L954 HydrophobicContact CD2-CD1 4.01Å
823	A	94.6	Very high	95.4	Very high	3 Å²	3	34.2 Å²	34.2	3%	0.025	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-65.2	-21.1	171.7	0	0	0	0	0	113.6	C343 I768 N771 I820 S821 E825	C343-A823 HydrophobicContact CB-CB 3.81Å; C343-A823 VanDerWaalsContact SG-CB 3.6Å; I768-A823 HydrophobicContact CD1-CB 4.33Å; N771-A823 PolarHBondContact ND2-O 3.44Å; I820-A823 WeakPolarHBondContact O-CB 3.26Å; I820-A823 PolarHBondContact O-N 3.12Å; I820-A823 VanDerWaalsContact O-N 3.17Å; S821-A823 PolarHBondContact O-N 3.37Å; A823-E825 VanDerWaalsContact C-N 3.28Å
824	Y	96.2	Very high	95.4	Very high	90 Å²	90	37.4 Å²	37.4	35%	0.353	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-85	0.8	176.6	-71.4	-90.2	0	0	0	113.6	L346 S821 L822 I953	L346-Y824 HydrophobicContact CD1-CD2 4.41Å; L346-Y824 HydrophobicContact CD1-CE2 3.48Å; L346-Y824 VanDerWaalsContact CD1-CE2 3.48Å; L346-Y824 VanDerWaalsContact CD2-OH 3.26Å; L346-Y824 WeakPolarHBondContact CD2-OH 3.23Å; S821-Y824 WeakPolarHBondContact O-CB 3.45Å; S821-Y824 PolarHBondContact O-N 2.92Å; L822-Y824 PolarHBondContact O-N 3.15Å; Y824-I953 HydrophobicContact CD1-CG1 4.23Å; Y824-I953 HydrophobicContact CD2-CB 4.1Å; Y824-I953 HydrophobicContact CD2-CG1 4.02Å; Y824-I953 HydrophobicContact CD2-CG2 4.06Å; Y824-I953 HydrophobicContact CE1-CG1 4.38Å; Y824-I953 HydrophobicContact CE2-CB 4.45Å; Y824-I953 HydrophobicContact CE2-CG1 4.14Å; Y824-I953 HydrophobicContact CE2-CG2 4.09Å; Y824-I953 HydrophobicContact CG-CB 4.4Å; Y824-I953 HydrophobicContact CG-CG1 4.04Å
825	E	97.3	Very high	95.5	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.019	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-63.6	140.4	177.3	-78	-57.7	134.8	0	0	112.4	N771 L822 A823 K938 N951	N771-E825 PolarHBondContact ND2-O 3.47Å; L822-E825 HydrophobicContact CD2-CG 4.32Å; L822-E825 WeakPolarHBondContact O-CB 3.46Å; L822-E825 WeakPolarHBondContact O-CG 3.46Å; L822-E825 PolarHBondContact O-N 3.27Å; L822-E825 VanDerWaalsContact O-N 3.15Å; A823-E825 VanDerWaalsContact C-N 3.28Å; E825-K938 VanDerWaalsContact CD-CG 3.48Å; E825-K938 HydrophobicContact CG-CG 4.24Å; E825-K938 WeakPolarHBondContact OE1-CG 3.4Å; E825-K938 IonicContact OE1-NZ 3.53Å; E825-K938 PolarHBondContact OE1-NZ 2.99Å; E825-K938 IonicContact OE2-NZ 3.65Å; E825-K938 PolarHBondContact OE2-NZ 3.49Å; E825-N951 WeakPolarHBondContact OE1-CB 3.42Å; E825-N951 PolarHBondContact OE1-ND2 2.94Å
826	A	95.7	Very high	95.5	Very high	58 Å²	58	44.5 Å²	44.5	48%	0.479	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-84.2	161.3	174.1	0	0	0	0	0	110.3
827	A	95.5	Very high	95.7	Very high	37 Å²	37	44 Å²	44	31%	0.306	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-58	142.2	176.3	0	0	0	0	0	111.8	L767 S829 I831 Q947	L767-A827 HydrophobicContact CD1-CB 4.13Å; A827-S829 WeakPolarHBondContact CB-O 3.45Å; A827-I831 HydrophobicContact CB-CD1 4.17Å; A827-I831 HydrophobicContact CB-CG1 4.29Å; A827-I831 HydrophobicContact CB-CG2 4.08Å; A827-Q947 PolarHBondContact O-NE2 3.43Å
828	E	94.7	Very high	95.7	Very high	36 Å²	36	45.7 Å²	45.7	17%	0.168	24%	0.237	C	C	.	.	S	Bend	trans	-83.8	-20.8	176.2	-72.3	179.6	-122.8	0	0	112.5	K774 T939 R940 R941 N942	K774-E828 WeakPolarHBondContact CE-OE1 3.31Å; K774-E828 IonicContact NZ-OE1 2.81Å; K774-E828 PolarHBondContact NZ-OE1 3.5Å; E828-T939 HydrophobicContact CG-CG2 4.18Å; E828-T939 WeakPolarHBondContact OE1-CA 3.32Å; E828-R940 PolarHBondContact OE1-N 3.06Å; E828-R940 PolarHBondContact OE2-N 3.48Å; E828-R940 VanDerWaalsContact OE2-N 3.11Å; E828-R941 PolarHBondContact OE2-N 3.38Å; E828-N942 HydrophobicContact CG-CB 4.49Å; E828-N942 PolarHBondContact O-ND2 3.28Å; E828-N942 PolarHBondContact OE2-N 3.22Å
829	S	93.5	Very high	95.4	Very high	82 Å²	82	47.2 Å²	47.2	57%	0.573	25%	0.246	S	C	*	.	S	Bend	trans	-148.6	176.2	179.8	62.8	0	0	0	0	109.9	A827 I831	A827-S829 WeakPolarHBondContact CB-O 3.45Å; S829-I831 PolarHBondContact O-N 3.47Å
830	D	93.8	Very high	95.2	Very high	81 Å²	81	54.6 Å²	54.6	43%	0.433	28%	0.279	S	S	.	.			trans	-70.1	91	173.2	-169.9	-15.3	0	0	0	110.9	M832 K833	D830-M832 PolarHBondContact O-N 3.23Å; D830-M832 PolarHBondContact OD1-N 3.26Å; D830-K833 HydrophobicContact CB-CD 4.15Å; D830-K833 HydrophobicContact CB-CG 4.35Å; D830-K833 PolarHBondContact O-N 2.95Å; D830-K833 VanDerWaalsContact OD2-CD 3.22Å; D830-K833 WeakPolarHBondContact OD2-CD 3.43Å; D830-K833 WeakPolarHBondContact OD2-CE 3.41Å; D830-K833 WeakPolarHBondContact OD2-CG 3.34Å; D830-K833 IonicContact OD2-NZ 3.2Å; D830-K833 PolarHBondContact OD2-NZ 3.34Å
831	I	94.4	Very high	95	Very high	6 Å²	6	57.5 Å²	57.5	3%	0.031	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-10.6	-178.4	57.4	175.5	0	0	0	113.2	E763 R766 L767 A827 S829 R834	E763-I831 HydrophobicContact CG-CD1 3.85Å; E763-I831 HydrophobicContact CG-CG1 4.19Å; E763-I831 WeakPolarHBondContact O-CD1 3.42Å; R766-I831 HydrophobicContact CB-CB 4.48Å; R766-I831 HydrophobicContact CB-CD1 4.04Å; R766-I831 WeakPolarHBondContact CD-O 3.4Å; R766-I831 PolarHBondContact NH1-O 3.21Å; L767-I831 HydrophobicContact CB-CD1 3.95Å; A827-I831 HydrophobicContact CB-CD1 4.17Å; A827-I831 HydrophobicContact CB-CG1 4.29Å; A827-I831 HydrophobicContact CB-CG2 4.08Å; S829-I831 PolarHBondContact O-N 3.47Å; I831-R834 WeakPolarHBondContact O-CG 3.23Å
832	M	95.3	Very high	94.8	Very high	27 Å²	27	61.3 Å²	61.3	13%	0.133	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-3.3	175.6	-65.8	-56.5	-68.8	0	0	113	A609 V759 V762 E763 D830	A609-M832 WeakPolarHBondContact CA-O 3.48Å; A609-M832 HydrophobicContact CB-CE 4.01Å; A609-M832 WeakPolarHBondContact CB-O 3.45Å; A609-M832 PolarHBondContact N-O 2.87Å; V759-M832 HydrophobicContact CG1-CE 3.62Å; V762-M832 HydrophobicContact CB-CE 4.39Å; V762-M832 HydrophobicContact CG1-CE 4.1Å; V762-M832 HydrophobicContact CG1-SD 4.09Å; E763-M832 HydrophobicContact CB-CG 4.24Å; E763-M832 HydrophobicContact CB-SD 3.73Å; E763-M832 HydrophobicContact CG-CG 4.17Å; E763-M832 HydrophobicContact CG-SD 4.24Å; D830-M832 PolarHBondContact O-N 3.23Å; D830-M832 PolarHBondContact OD1-N 3.26Å
833	K	94.4	Very high	94.7	Very high	157 Å²	157	63.2 Å²	63.2	68%	0.683	33%	0.327	S	S	*	.	S	Bend	trans	-99.4	-13.5	173.3	-73.3	-178	179.2	168	0	114.9	D830	D830-K833 HydrophobicContact CB-CD 4.15Å; D830-K833 HydrophobicContact CB-CG 4.35Å; D830-K833 PolarHBondContact O-N 2.95Å; D830-K833 VanDerWaalsContact OD2-CD 3.22Å; D830-K833 WeakPolarHBondContact OD2-CD 3.43Å; D830-K833 WeakPolarHBondContact OD2-CE 3.41Å; D830-K833 WeakPolarHBondContact OD2-CG 3.34Å; D830-K833 IonicContact OD2-NZ 3.2Å; D830-K833 PolarHBondContact OD2-NZ 3.34Å
834	R	93.8	Very high	94.7	Very high	87 Å²	87	63.2 Å²	63.2	33%	0.328	33%	0.326	S	S	.	.	S	Bend	trans	-83.5	153.8	176.4	68.8	176.8	-176.1	-162.6	-0.6	111	A609 R766 D770 I831	A609-R834 CarbonylContact C-O 3.57Å; R766-R834 PolarHBondContact NH1-O 2.85Å; R766-R834 PolarHBondContact O-NH2 3.48Å; D770-R834 IonicContact OD1-NH1 3.73Å; D770-R834 IonicContact OD1-NH2 2.82Å; D770-R834 IonicContact OD2-CZ 3.63Å; D770-R834 IonicContact OD2-NH1 3.45Å; D770-R834 PolarHBondContact OD2-NH1 3.31Å; D770-R834 IonicContact OD2-NH2 3.54Å; D770-R834 PolarHBondContact OD2-NH2 3.14Å; I831-R834 WeakPolarHBondContact O-CG 3.23Å
835	Q	96.4	Very high	94.7	Very high	132 Å²	132	59 Å²	59	62%	0.617	31%	0.31	S	S	*	.	P	Polyproline II helix	trans	-63.6	156.8	171.6	-65.8	-65.2	-39.1	0	0	111	G610	G610-Q835 VanDerWaalsContact CA-OE1 3.28Å
836	P	96.9	Very high	94.5	Very high	21 Å²	21	60.2 Å²	60.2	14%	0.136	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-55.9	144.6	168.6	-20.8	33.8	0	0	0	110.4	T370 A609 I611	T370-P836 WeakPolarHBondContact O-CB 3.33Å; T370-P836 WeakPolarHBondContact O-CG 3.31Å; A609-P836 WeakPolarHBondContact O-CD 3.47Å; I611-P836 HydrophobicContact CG1-CG 4.04Å
837	R	95.9	Very high	94.4	Very high	30 Å²	30	65 Å²	65	11%	0.113	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-62.9	146.8	178.5	74.8	169.6	178.9	103.3	-1.2	110.3	E287 E365 S369 P839 D842	E287-R837 IonicContact OE1-NH1 3.29Å; E287-R837 PolarHBondContact OE1-NH1 3.34Å; E287-R837 VanDerWaalsContact OE1-NH1 3.13Å; E365-R837 IonicContact OE1-CZ 3.43Å; E365-R837 IonicContact OE1-NE 2.76Å; E365-R837 PolarHBondContact OE1-NE 3.08Å; E365-R837 IonicContact OE1-NH2 3.68Å; E365-R837 PolarHBondContact OE1-NH2 3.35Å; S369-R837 PolarHBondContact OG-NE 2.89Å; S369-R837 PolarHBondContact OG-NH2 3.11Å; R837-P839 WeakPolarHBondContact O-CD 3.44Å; R837-D842 HydrophobicContact CB-CB 3.93Å; R837-D842 PolarHBondContact NH1-O 3.07Å
838	N	95.7	Very high	94.4	Very high	76 Å²	76	67.2 Å²	67.2	41%	0.406	33%	0.329	S	S	.	.			trans	-86.4	114.9	172.5	179.2	-31.9	0	0	0	109.3	K840 T841 D842	N838-K840 PolarHBondContact O-N 3.41Å; N838-K840 WeakPolarHBondContact OD1-CB 3.33Å; N838-K840 PolarHBondContact OD1-N 3.15Å; N838-T841 VanDerWaalsContact CB-OG1 3.29Å; N838-T841 WeakPolarHBondContact CB-OG1 3.31Å; N838-T841 PolarHBondContact O-N 3.06Å; N838-T841 VanDerWaalsContact O-N 3.1Å; N838-D842 PolarHBondContact N-OD2 2.91Å; N838-D842 PolarHBondContact O-N 3.08Å
839	P	92.7	Very high	94.5	Very high	32 Å²	32	65.5 Å²	65.5	21%	0.208	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-13.3	-172.6	27.4	-36	0	0	0	113.8	I711 R837 K843	I711-P839 HydrophobicContact CD1-CB 4.42Å; I711-P839 HydrophobicContact CD1-CG 4.24Å; I711-P839 HydrophobicContact CG1-CG 4.31Å; R837-P839 WeakPolarHBondContact O-CD 3.44Å; P839-K843 WeakPolarHBondContact O-CE 3.21Å; P839-K843 PolarHBondContact O-NZ 3.25Å
840	K	91.5	Very high	94.6	Very high	156 Å²	156	63 Å²	63	68%	0.678	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-27.7	177.3	-63.3	-178.7	-178.7	174.8	0	113.1	N838	N838-K840 PolarHBondContact O-N 3.41Å; N838-K840 WeakPolarHBondContact OD1-CB 3.33Å; N838-K840 PolarHBondContact OD1-N 3.15Å
841	T	91.9	Very high	94.6	Very high	93 Å²	93	61.3 Å²	61.3	57%	0.571	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.8	-46.4	-171.8	48.4	0	0	0	0	112	N838 K843	N838-T841 VanDerWaalsContact CB-OG1 3.29Å; N838-T841 WeakPolarHBondContact CB-OG1 3.31Å; N838-T841 PolarHBondContact O-N 3.06Å; N838-T841 VanDerWaalsContact O-N 3.1Å; T841-K843 VanDerWaalsContact C-N 3.33Å; T841-K843 PolarHBondContact O-N 2.88Å
842	D	93.7	Very high	94.8	Very high	79 Å²	79	61.2 Å²	61.2	42%	0.422	30%	0.295	S	S	.	.	S	Bend	trans	-84.1	76.8	-179	-60	-47.1	0	0	0	110.8	R837 N838	R837-D842 HydrophobicContact CB-CB 3.93Å; R837-D842 PolarHBondContact NH1-O 3.07Å; N838-D842 PolarHBondContact N-OD2 2.91Å; N838-D842 PolarHBondContact O-N 3.08Å
843	K	95	Very high	94.8	Very high	41 Å²	41	60 Å²	60	18%	0.178	29%	0.289	C	S	.	.			trans	-77.8	153.6	179.1	-60.8	-54.4	-163.5	175.3	0	112.6	E287 K773 P839 T841	E287-K843 VanDerWaalsContact OE1-CD 3.29Å; E287-K843 WeakPolarHBondContact OE1-CD 3.18Å; E287-K843 IonicContact OE1-NZ 2.77Å; E287-K843 PolarHBondContact OE1-NZ 3.04Å; E287-K843 VanDerWaalsContact OE2-CA 3.31Å; E287-K843 WeakPolarHBondContact OE2-CA 3.28Å; E287-K843 WeakPolarHBondContact OE2-CD 3.35Å; K773-K843 WeakPolarHBondContact CE-O 3.47Å; K773-K843 PolarHBondContact NZ-O 3.39Å; P839-K843 WeakPolarHBondContact O-CE 3.21Å; P839-K843 PolarHBondContact O-NZ 3.25Å; T841-K843 VanDerWaalsContact C-N 3.33Å; T841-K843 PolarHBondContact O-N 2.88Å
844	L	94.9	Very high	94.8	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	26%	0.26	C	S	.	.	S	Bend	trans	-65	-48.7	174.6	-177.3	67.3	0	0	0	110.3	I284 E287 F769 L772 K773 I776	I284-L844 HydrophobicContact CD1-CD2 3.93Å; E287-L844 HydrophobicContact CB-CB 3.72Å; E287-L844 HydrophobicContact CB-CD2 4.15Å; E287-L844 HydrophobicContact CG-CB 4.08Å; E287-L844 PolarHBondContact OE2-N 3.32Å; F769-L844 HydrophobicContact CD2-CD1 4.04Å; F769-L844 HydrophobicContact CE2-CB 4.01Å; F769-L844 HydrophobicContact CE2-CD1 3.85Å; F769-L844 HydrophobicContact CZ-CB 4.19Å; F769-L844 HydrophobicContact CZ-CD1 4.23Å; L772-L844 HydrophobicContact CB-CD1 3.99Å; K773-L844 VanDerWaalsContact CE-O 3.26Å; K773-L844 WeakPolarHBondContact CE-O 3.14Å; K773-L844 HydrophobicContact CG-CD1 3.82Å; K773-L844 WeakPolarHBondContact CG-O 3.27Å; I776-L844 HydrophobicContact CD1-CD1 4.26Å; I776-L844 HydrophobicContact CD1-CD2 3.61Å; I776-L844 HydrophobicContact CD1-CG 3.83Å
845	V	95.1	Very high	94.9	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.006	27%	0.269	C	S	.	.	S	Bend	trans	-116.2	119.9	171.7	-177.9	0	0	0	0	108.3	F291 I776 L849 I850	F291-V845 HydrophobicContact CB-CB 4.21Å; F291-V845 HydrophobicContact CB-CG2 3.99Å; F291-V845 HydrophobicContact CD2-CB 3.99Å; F291-V845 HydrophobicContact CD2-CG1 4.06Å; F291-V845 HydrophobicContact CD2-CG2 3.56Å; F291-V845 HydrophobicContact CE2-CG2 4.27Å; F291-V845 HydrophobicContact CG-CB 4.45Å; F291-V845 HydrophobicContact CG-CG2 3.89Å; I776-V845 HydrophobicContact CD1-CG2 4.33Å; I776-V845 HydrophobicContact CG2-CG2 3.78Å; V845-L849 HydrophobicContact CG1-CD2 4.33Å; V845-L849 HydrophobicContact CG2-CD1 4.48Å; V845-I850 HydrophobicContact CG1-CD1 3.93Å; V845-I850 HydrophobicContact CG1-CG1 4.26Å
846	N	93.8	Very high	94.9	Very high	30 Å²	30	47.1 Å²	47.1	16%	0.16	25%	0.248	C	C	.	.			trans	-121.6	170.7	178.3	59.9	12.3	0	0	0	110.2	R848 L849 I850	N846-R848 PolarHBondContact O-N 2.6Å; N846-L849 WeakPolarHBondContact O-CB 3.47Å; N846-L849 PolarHBondContact O-N 2.96Å; N846-L849 VanDerWaalsContact O-N 3.09Å; N846-L849 WeakPolarHBondContact OD1-CB 3.48Å; N846-L849 PolarHBondContact OD1-N 3.26Å; N846-I850 PolarHBondContact O-N 2.98Å
847	E	93.3	Very high	95	Very high	160 Å²	160	46.3 Å²	46.3	75%	0.748	24%	0.242	S	C	*	.	H	α-helix	trans	-57.3	-31.4	178.6	66.2	-166.7	169.1	0	0	113.1	I850 S851	E847-I850 PolarHBondContact O-N 3.08Å; E847-S851 WeakPolarHBondContact O-CB 3.29Å; E847-S851 PolarHBondContact O-N 3.21Å
848	R	95.3	Very high	95.1	Very high	82 Å²	82	44.9 Å²	44.9	31%	0.309	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-40.2	177.3	-57.3	176.4	-175.6	171.9	-2.9	111.8	N846 S851 M852 Q1019 Y1022	N846-R848 PolarHBondContact O-N 2.6Å; R848-S851 PolarHBondContact O-N 2.56Å; R848-M852 PolarHBondContact O-N 3.25Å; R848-Q1019 WeakPolarHBondContact CD-O 3.44Å; R848-Q1019 PolarHBondContact NE-O 3.17Å; R848-Q1019 PolarHBondContact NH2-O 3.01Å; R848-Y1022 WeakPolarHBondContact CD-O 3.49Å; R848-Y1022 PolarHBondContact NH1-O 3.3Å
849	L	96.6	Very high	95.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-47.7	176	-165	153.7	0	0	0	109.8	A777 L780 V845 N846 S851 M852 A853 Y1023	A777-L849 HydrophobicContact CB-CD1 4.26Å; A777-L849 HydrophobicContact CB-CD2 4.08Å; A777-L849 HydrophobicContact CB-CG 4.07Å; L780-L849 HydrophobicContact CD1-CD2 3.86Å; V845-L849 HydrophobicContact CG1-CD2 4.33Å; V845-L849 HydrophobicContact CG2-CD1 4.48Å; N846-L849 WeakPolarHBondContact O-CB 3.47Å; N846-L849 PolarHBondContact O-N 2.96Å; N846-L849 VanDerWaalsContact O-N 3.09Å; N846-L849 WeakPolarHBondContact OD1-CB 3.48Å; N846-L849 PolarHBondContact OD1-N 3.26Å; L849-S851 PolarHBondContact O-N 3.23Å; L849-M852 PolarHBondContact O-N 2.97Å; L849-A853 HydrophobicContact CD2-CB 4.4Å; L849-A853 VanDerWaalsContact O-CB 3.31Å; L849-A853 WeakPolarHBondContact O-CB 3.47Å; L849-A853 PolarHBondContact O-N 3.33Å; L849-Y1023 VanDerWaalsContact CA-CB 3.49Å; L849-Y1023 HydrophobicContact CB-CD2 4.5Å; L849-Y1023 HydrophobicContact CB-CG 4.21Å; L849-Y1023 HydrophobicContact CD1-CD2 4.01Å; L849-Y1023 HydrophobicContact CG-CD2 4.07Å; L849-Y1023 HydrophobicContact CG-CG 4.21Å
850	I	95.3	Very high	95.4	Very high	31 Å²	31	45.7 Å²	45.7	16%	0.159	24%	0.237	C	C	.	.	H	α-helix	trans	-63.8	-41.5	177.4	-56.9	-58.5	0	0	0	111	I294 I295 L780 V845 N846 E847 M852 Y854 G855	I294-I850 HydrophobicContact CG2-CG1 4.43Å; I295-I850 HydrophobicContact CD1-CD1 4.37Å; L780-I850 HydrophobicContact CD1-CD1 4.14Å; V845-I850 HydrophobicContact CG1-CD1 3.93Å; V845-I850 HydrophobicContact CG1-CG1 4.26Å; N846-I850 PolarHBondContact O-N 2.98Å; E847-I850 PolarHBondContact O-N 3.08Å; I850-M852 VanDerWaalsContact C-N 3.32Å; I850-M852 PolarHBondContact O-N 3.34Å; I850-Y854 HydrophobicContact CG2-CG 4.21Å; I850-Y854 WeakPolarHBondContact O-CA 3.35Å; I850-Y854 VanDerWaalsContact O-CB 3.31Å; I850-Y854 WeakPolarHBondContact O-CB 3.3Å; I850-Y854 PolarHBondContact O-N 3.35Å; I850-G855 PolarHBondContact O-N 3.17Å
851	S	95.8	Very high	95.8	Very high	44 Å²	44	38.3 Å²	38.3	31%	0.308	21%	0.205	S	C	.	.	H	α-helix	trans	-58.7	-43	176.1	178.8	0	0	0	0	112.1	E847 R848 L849 G855 Q856	E847-S851 WeakPolarHBondContact O-CB 3.29Å; E847-S851 PolarHBondContact O-N 3.21Å; R848-S851 PolarHBondContact O-N 2.56Å; L849-S851 PolarHBondContact O-N 3.23Å; S851-G855 CarbonylContact O-C 3.33Å; S851-G855 WeakPolarHBondContact O-CA 3.2Å; S851-G855 PolarHBondContact O-N 3.47Å; S851-Q856 WeakPolarHBondContact O-CG 3.46Å; S851-Q856 PolarHBondContact O-N 2.73Å; S851-Q856 PolarHBondContact O-NE2 3.3Å; S851-Q856 PolarHBondContact OG-NE2 2.99Å
852	M	96.9	Very high	96	Very high	5 Å²	5	34 Å²	34	3%	0.025	18%	0.178	C	C	.	.	H	α-helix	trans	-71.3	-52.9	177.3	-79.1	-62.2	-58.7	0	0	112.5	R848 L849 I850 Q856 I857 T1021 Y1023	R848-M852 PolarHBondContact O-N 3.25Å; L849-M852 PolarHBondContact O-N 2.97Å; I850-M852 VanDerWaalsContact C-N 3.32Å; I850-M852 PolarHBondContact O-N 3.34Å; M852-Q856 PolarHBondContact O-N 3.23Å; M852-Q856 PolarHBondContact SD-OE1 3.26Å; M852-I857 HydrophobicContact CE-CD1 4.42Å; M852-I857 HydrophobicContact CE-CG1 4.33Å; M852-I857 PolarHBondContact O-N 3.17Å; M852-T1021 VanDerWaalsContact SD-CB 3.57Å; M852-T1021 HydrophobicContact SD-CG2 3.88Å; M852-Y1023 HydrophobicContact CB-CD1 4.04Å; M852-Y1023 HydrophobicContact CB-CE1 4.12Å; M852-Y1023 HydrophobicContact CG-CD1 3.91Å; M852-Y1023 HydrophobicContact CG-CE1 4.17Å
853	A	96.3	Very high	96.2	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	18%	0.176	C	C	.	.	I	π-helix	trans	-69.2	-62.2	-176.1	0	0	0	0	0	111.3	L780 T781 L849 G858	L780-A853 HydrophobicContact CB-CB 4.36Å; T781-A853 WeakPolarHBondContact OG1-CA 3.47Å; T781-A853 VanDerWaalsContact OG1-CB 3.25Å; T781-A853 WeakPolarHBondContact OG1-CB 3.47Å; L849-A853 HydrophobicContact CD2-CB 4.4Å; L849-A853 VanDerWaalsContact O-CB 3.31Å; L849-A853 WeakPolarHBondContact O-CB 3.47Å; L849-A853 PolarHBondContact O-N 3.33Å; A853-G858 WeakPolarHBondContact O-CA 3.4Å; A853-G858 PolarHBondContact O-N 3.39Å
854	Y	94.8	Very high	96.4	Very high	19 Å²	19	30.8 Å²	30.8	8%	0.075	17%	0.167	C	C	.	.	I	π-helix	trans	-76.3	-45	-176	-81.7	39.9	0	0	0	112.1	V298 L780 N783 I784 I850	V298-Y854 HydrophobicContact CG1-CE2 4.25Å; L780-Y854 HydrophobicContact CB-CD1 4.41Å; L780-Y854 HydrophobicContact CB-CE1 3.86Å; L780-Y854 HydrophobicContact CD2-CE1 4.15Å; L780-Y854 HydrophobicContact CG-CE1 4.46Å; L780-Y854 WeakPolarHBondContact O-CD1 3.45Å; L780-Y854 WeakPolarHBondContact O-CE1 3.5Å; N783-Y854 HydrophobicContact CB-CE1 4.22Å; I784-Y854 HydrophobicContact CD1-CD1 4.47Å; I784-Y854 HydrophobicContact CD1-CD2 3.54Å; I784-Y854 HydrophobicContact CD1-CE2 4.12Å; I784-Y854 HydrophobicContact CD1-CG 3.73Å; I784-Y854 HydrophobicContact CG1-CD1 4.35Å; I784-Y854 HydrophobicContact CG1-CD2 4.27Å; I784-Y854 HydrophobicContact CG1-CG 3.96Å; I784-Y854 WeakPolarHBondContact CG1-O 3.39Å; I850-Y854 HydrophobicContact CG2-CG 4.21Å; I850-Y854 WeakPolarHBondContact O-CA 3.35Å; I850-Y854 VanDerWaalsContact O-CB 3.31Å; I850-Y854 WeakPolarHBondContact O-CB 3.3Å; I850-Y854 PolarHBondContact O-N 3.35Å
855	G	94.9	Very high	96.5	Very high	49 Å²	49	30.7 Å²	30.7	51%	0.505	17%	0.167	S	C	.	.	I	π-helix	trans	-78.9	-23.8	-169.3	0	0	0	0	0	115.1	I850 S851	I850-G855 PolarHBondContact O-N 3.17Å; S851-G855 CarbonylContact O-C 3.33Å; S851-G855 WeakPolarHBondContact O-CA 3.2Å; S851-G855 PolarHBondContact O-N 3.47Å
856	Q	97.5	Very high	96.6	Very high	37 Å²	37	31.6 Å²	31.6	17%	0.173	17%	0.171	C	C	.	.	I	π-helix	trans	-126.4	-68.8	-169.6	-63	168.5	47.2	0	0	112.2	S851 M852 M859 M860 Y1001	S851-Q856 WeakPolarHBondContact O-CG 3.46Å; S851-Q856 PolarHBondContact O-N 2.73Å; S851-Q856 PolarHBondContact O-NE2 3.3Å; S851-Q856 PolarHBondContact OG-NE2 2.99Å; M852-Q856 PolarHBondContact O-N 3.23Å; M852-Q856 PolarHBondContact SD-OE1 3.26Å; Q856-M859 PolarHBondContact O-N 3.49Å; Q856-M860 WeakPolarHBondContact O-CG 3.29Å; Q856-M860 PolarHBondContact O-N 3.4Å; Q856-Y1001 HydrophobicContact CB-CE1 4.48Å; Q856-Y1001 PolarHBondContact OE1-OH 3.22Å
857	I	98.1	Very high	96.8	Very high	4 Å²	4	34.3 Å²	34.3	2%	0.021	18%	0.181	C	C	.	.	I	π-helix	trans	-68.7	-48.3	-173.4	-53.1	-56.5	0	0	0	110.2	T781 M852 M859 M860 Q861 D933 I936 I998 Y1001	T781-I857 HydrophobicContact CG2-CB 3.69Å; T781-I857 HydrophobicContact CG2-CG2 3.54Å; M852-I857 HydrophobicContact CE-CD1 4.42Å; M852-I857 HydrophobicContact CE-CG1 4.33Å; M852-I857 PolarHBondContact O-N 3.17Å; I857-M859 PolarHBondContact O-N 2.8Å; I857-M859 VanDerWaalsContact O-N 3.16Å; I857-M860 WeakPolarHBondContact O-CA 3.22Å; I857-M860 WeakPolarHBondContact O-CB 3.33Å; I857-M860 PolarHBondContact O-N 3.49Å; I857-Q861 HydrophobicContact CG2-CG 4.41Å; I857-Q861 WeakPolarHBondContact O-CG 3.31Å; I857-Q861 PolarHBondContact O-N 2.95Å; I857-D933 WeakPolarHBondContact CG2-OD1 3.28Å; I857-I936 HydrophobicContact CD1-CD1 3.95Å; I857-I936 HydrophobicContact CG1-CD1 4.09Å; I857-I936 HydrophobicContact CG2-CD1 4.3Å; I857-I998 HydrophobicContact CD1-CG2 4.41Å; I857-I998 HydrophobicContact CG2-CD1 4.28Å; I857-I998 HydrophobicContact CG2-CG1 4.28Å; I857-I998 HydrophobicContact CG2-CG2 3.81Å; I857-Y1001 HydrophobicContact CD1-CD1 3.69Å; I857-Y1001 HydrophobicContact CD1-CE1 3.97Å
858	G	97.6	Very high	97	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.1	-33.1	177.2	0	0	0	0	0	112.5	T781 I784 A853 Q861 A862	T781-G858 WeakPolarHBondContact O-CA 3.49Å; I784-G858 VanDerWaalsContact CG2-C 3.46Å; I784-G858 WeakPolarHBondContact CG2-O 3.46Å; A853-G858 WeakPolarHBondContact O-CA 3.4Å; A853-G858 PolarHBondContact O-N 3.39Å; G858-Q861 PolarHBondContact O-N 3.36Å; G858-A862 WeakPolarHBondContact O-CB 3.42Å; G858-A862 PolarHBondContact O-N 3.21Å
859	M	97.9	Very high	97.1	Very high	89 Å²	89	22.9 Å²	22.9	44%	0.438	13%	0.131	S	C	.	.	H	α-helix	trans	-69.1	-36.4	174.4	-72.2	-52.4	-35.2	0	0	113.6	I784 Q856 I857 Q861 A862 S863	I784-M859 HydrophobicContact CG2-CG 4.48Å; I784-M859 HydrophobicContact CG2-SD 3.64Å; Q856-M859 PolarHBondContact O-N 3.49Å; I857-M859 PolarHBondContact O-N 2.8Å; I857-M859 VanDerWaalsContact O-N 3.16Å; M859-Q861 VanDerWaalsContact C-N 3.34Å; M859-A862 HydrophobicContact CE-CB 4.33Å; M859-S863 PolarHBondContact O-N 3.07Å; M859-S863 PolarHBondContact O-OG 3.33Å
860	M	98.2	Very high	97.2	Very high	37 Å²	37	26 Å²	26	18%	0.182	15%	0.145	C	C	.	.	H	α-helix	trans	-67.2	-38.7	172.7	-62.2	-177.3	-161.3	0	0	110.9	Q856 I857 S863 A864 L997 I998 Y1001	Q856-M860 WeakPolarHBondContact O-CG 3.29Å; Q856-M860 PolarHBondContact O-N 3.4Å; I857-M860 WeakPolarHBondContact O-CA 3.22Å; I857-M860 WeakPolarHBondContact O-CB 3.33Å; I857-M860 PolarHBondContact O-N 3.49Å; M860-S863 WeakPolarHBondContact O-CB 3.43Å; M860-S863 PolarHBondContact O-N 3.09Å; M860-A864 PolarHBondContact O-N 3.09Å; M860-A864 VanDerWaalsContact O-N 3.07Å; M860-L997 HydrophobicContact SD-CD2 4.34Å; M860-L997 HydrophobicContact SD-CG 4.29Å; M860-I998 HydrophobicContact CB-CD1 4.06Å; M860-I998 HydrophobicContact CB-CG1 3.79Å; M860-I998 HydrophobicContact CG-CG1 4.5Å; M860-I998 HydrophobicContact SD-CG1 3.95Å; M860-Y1001 HydrophobicContact CE-CD1 3.81Å; M860-Y1001 HydrophobicContact CE-CD2 4.07Å; M860-Y1001 HydrophobicContact CE-CE1 4.09Å; M860-Y1001 HydrophobicContact CE-CE2 4.34Å; M860-Y1001 HydrophobicContact CE-CG 3.8Å
861	Q	98.3	Very high	97.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	15%	0.147	C	C	.	.	H	α-helix	trans	-63.9	-46	175.1	-62	-169.6	-11.7	0	0	111.9	T781 P785 I857 G858 M859 S863 A864 G865 V929 I998	T781-Q861 PolarHBondContact O-OE1 3.33Å; P785-Q861 HydrophobicContact CB-CB 4.15Å; P785-Q861 HydrophobicContact CG-CB 3.74Å; I857-Q861 HydrophobicContact CG2-CG 4.41Å; I857-Q861 WeakPolarHBondContact O-CG 3.31Å; I857-Q861 PolarHBondContact O-N 2.95Å; G858-Q861 PolarHBondContact O-N 3.36Å; M859-Q861 VanDerWaalsContact C-N 3.34Å; Q861-S863 VanDerWaalsContact C-N 3.28Å; Q861-S863 PolarHBondContact O-N 3.2Å; Q861-A864 WeakPolarHBondContact O-CB 3.48Å; Q861-A864 PolarHBondContact O-N 3.07Å; Q861-A864 VanDerWaalsContact O-N 3.09Å; Q861-G865 PolarHBondContact O-N 3Å; Q861-V929 HydrophobicContact CB-CB 4.48Å; Q861-V929 HydrophobicContact CB-CG2 3.67Å; Q861-V929 HydrophobicContact CG-CB 3.93Å; Q861-V929 HydrophobicContact CG-CG2 3.43Å; Q861-V929 VanDerWaalsContact CG-CG2 3.43Å; Q861-I998 HydrophobicContact CG-CD1 3.78Å
862	A	97.6	Very high	97.3	Very high	1 Å²	1	24 Å²	24	1%	0.008	13%	0.132	C	C	.	.	H	α-helix	trans	-57.2	-44.9	175.1	0	0	0	0	0	111.1	I784 P785 S788 G858 M859 A864 G865 F866	I784-A862 HydrophobicContact CG2-CB 4.14Å; P785-A862 HydrophobicContact CB-CB 4.3Å; S788-A862 VanDerWaalsContact OG-CB 3.32Å; S788-A862 WeakPolarHBondContact OG-CB 3.33Å; G858-A862 WeakPolarHBondContact O-CB 3.42Å; G858-A862 PolarHBondContact O-N 3.21Å; M859-A862 HydrophobicContact CE-CB 4.33Å; A862-A864 VanDerWaalsContact C-N 3.27Å; A862-A864 PolarHBondContact O-N 2.86Å; A862-G865 PolarHBondContact O-N 2.96Å; A862-F866 WeakPolarHBondContact O-CD2 3.42Å; A862-F866 PolarHBondContact O-N 3.37Å
863	S	97.8	Very high	97.3	Very high	53 Å²	53	23.8 Å²	23.8	37%	0.371	13%	0.131	S	C	.	.	H	α-helix	trans	-59.7	-37.9	177.2	-57.4	0	0	0	0	112.4	M859 M860 Q861 F867	M859-S863 PolarHBondContact O-N 3.07Å; M859-S863 PolarHBondContact O-OG 3.33Å; M860-S863 WeakPolarHBondContact O-CB 3.43Å; M860-S863 PolarHBondContact O-N 3.09Å; Q861-S863 VanDerWaalsContact C-N 3.28Å; Q861-S863 PolarHBondContact O-N 3.2Å; S863-F867 VanDerWaalsContact O-CB 3.31Å; S863-F867 WeakPolarHBondContact O-CB 3.39Å; S863-F867 PolarHBondContact O-N 2.93Å
864	A	97.7	Very high	97.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.3	-45.8	175.7	0	0	0	0	0	112	M860 Q861 A862 F867 T868 V929 A991 Y994	M860-A864 PolarHBondContact O-N 3.09Å; M860-A864 VanDerWaalsContact O-N 3.07Å; Q861-A864 WeakPolarHBondContact O-CB 3.48Å; Q861-A864 PolarHBondContact O-N 3.07Å; Q861-A864 VanDerWaalsContact O-N 3.09Å; A862-A864 VanDerWaalsContact C-N 3.27Å; A862-A864 PolarHBondContact O-N 2.86Å; A864-F867 PolarHBondContact O-N 3.36Å; A864-T868 PolarHBondContact O-N 3.04Å; A864-T868 PolarHBondContact O-OG1 3.33Å; A864-V929 HydrophobicContact CB-CG1 3.75Å; A864-A991 HydrophobicContact CB-CB 4.27Å; A864-Y994 VanDerWaalsContact CB-CB 3.5Å; A864-Y994 HydrophobicContact CB-CD1 4.06Å; A864-Y994 HydrophobicContact CB-CD2 3.78Å; A864-Y994 HydrophobicContact CB-CG 3.51Å
865	G	97.3	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.5	-46.6	176.8	0	0	0	0	0	112.4	Q861 A862 F867 T868 Y869 F922	Q861-G865 PolarHBondContact O-N 3Å; A862-G865 PolarHBondContact O-N 2.96Å; G865-F867 VanDerWaalsContact C-N 3.34Å; G865-F867 PolarHBondContact O-N 3.16Å; G865-T868 PolarHBondContact O-N 2.83Å; G865-Y869 WeakPolarHBondContact O-CB 3.35Å; G865-Y869 PolarHBondContact O-N 3.21Å; G865-F922 VanDerWaalsContact C-CD2 3.44Å; G865-F922 VanDerWaalsContact O-CD2 3.31Å; G865-F922 WeakPolarHBondContact O-CD2 3.45Å
866	F	97.9	Very high	97.4	Very high	20 Å²	20	28.4 Å²	28.4	9%	0.088	15%	0.146	C	C	.	.	H	α-helix	trans	-63.7	-38.1	175.9	-80	-67.8	0	0	0	112.8	P789 L792 P801 A862 Y869 F870 F922	P789-F866 HydrophobicContact CG-CZ 4.38Å; L792-F866 HydrophobicContact CB-CE1 4.02Å; L792-F866 HydrophobicContact CB-CZ 3.94Å; L792-F866 HydrophobicContact CD1-CD1 3.92Å; L792-F866 HydrophobicContact CD1-CD2 4.16Å; L792-F866 HydrophobicContact CD1-CE1 3.38Å; L792-F866 HydrophobicContact CD1-CE2 3.7Å; L792-F866 HydrophobicContact CD1-CG 4.3Å; L792-F866 HydrophobicContact CD1-CZ 3.29Å; L792-F866 HydrophobicContact CG-CE1 4.3Å; L792-F866 HydrophobicContact CG-CZ 4.06Å; P801-F866 HydrophobicContact CB-CE1 4.15Å; P801-F866 HydrophobicContact CG-CE1 3.73Å; P801-F866 HydrophobicContact CG-CZ 4.46Å; A862-F866 WeakPolarHBondContact O-CD2 3.42Å; A862-F866 PolarHBondContact O-N 3.37Å; F866-Y869 WeakPolarHBondContact O-CB 3.31Å; F866-Y869 PolarHBondContact O-N 3.28Å; F866-F870 HydrophobicContact CB-CD2 4.46Å; F866-F870 HydrophobicContact CB-CE2 4.17Å; F866-F870 HydrophobicContact CD1-CE2 4.44Å; F866-F870 WeakPolarHBondContact O-CD2 3.39Å; F866-F870 WeakPolarHBondContact O-CG 3.35Å; F866-F870 PolarHBondContact O-N 3.43Å; F866-F922 HydrophobicContact CD1-CE2 4.29Å; F866-F922 HydrophobicContact CD2-CE2 4.41Å; F866-F922 HydrophobicContact CD2-CZ 4.44Å; F866-F922 HydrophobicContact CE1-CE2 4.45Å; F866-F922 HydrophobicContact CE2-CZ 4.42Å; F866-F922 HydrophobicContact CG-CE2 4.25Å
867	F	97.9	Very high	97.2	Very high	88 Å²	88	26.8 Å²	26.8	39%	0.386	14%	0.139	S	C	.	.	H	α-helix	trans	-58.9	-49.7	174.5	176.9	-104.6	0	0	0	111.1	S863 A864 G865 Y869 F870 V871 C990 Y994	S863-F867 VanDerWaalsContact O-CB 3.31Å; S863-F867 WeakPolarHBondContact O-CB 3.39Å; S863-F867 PolarHBondContact O-N 2.93Å; A864-F867 PolarHBondContact O-N 3.36Å; G865-F867 VanDerWaalsContact C-N 3.34Å; G865-F867 PolarHBondContact O-N 3.16Å; F867-Y869 VanDerWaalsContact C-N 3.34Å; F867-Y869 PolarHBondContact O-N 2.82Å; F867-F870 PolarHBondContact O-N 3.32Å; F867-V871 HydrophobicContact CD1-CG2 4.38Å; F867-V871 HydrophobicContact CD2-CG2 4.43Å; F867-V871 HydrophobicContact CE1-CG2 3.99Å; F867-V871 HydrophobicContact CE2-CG2 4.05Å; F867-V871 HydrophobicContact CZ-CG2 3.81Å; F867-V871 VanDerWaalsContact O-CG2 3.29Å; F867-V871 WeakPolarHBondContact O-CG2 3.43Å; F867-V871 PolarHBondContact O-N 2.94Å; F867-C990 HydrophobicContact CD1-CB 4.26Å; F867-C990 HydrophobicContact CE1-CB 4.22Å; F867-Y994 HydrophobicContact CB-CE2 3.92Å; F867-Y994 AromaticContact CD1-CE2 3.95Å; F867-Y994 HydrophobicContact CD1-CE2 3.95Å; F867-Y994 AromaticContact CG-CE2 3.92Å; F867-Y994 HydrophobicContact CG-CE2 3.92Å
868	T	97.5	Very high	97.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-60.5	-42.7	176.5	-56.4	0	0	0	0	112	A864 G865 F870 V871 I872 A921 S925 C990	A864-T868 PolarHBondContact O-N 3.04Å; A864-T868 PolarHBondContact O-OG1 3.33Å; G865-T868 PolarHBondContact O-N 2.83Å; T868-F870 PolarHBondContact O-N 2.81Å; T868-V871 PolarHBondContact O-N 2.85Å; T868-I872 HydrophobicContact CG2-CD1 3.94Å; T868-I872 WeakPolarHBondContact O-CG1 3.42Å; T868-I872 PolarHBondContact O-N 3.48Å; T868-A921 HydrophobicContact CG2-CB 3.74Å; T868-S925 VanDerWaalsContact CB-OG 3.23Å; T868-S925 WeakPolarHBondContact CB-OG 3.2Å; T868-S925 WeakPolarHBondContact CG2-OG 3.01Å; T868-S925 PolarHBondContact OG1-OG 2.99Å; T868-C990 HydrophobicContact CG2-CB 4.01Å; T868-C990 WeakPolarHBondContact OG1-CB 3.44Å
869	Y	97.8	Very high	97	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.155	C	C	.	.	H	α-helix	trans	-56.1	-49.6	175.9	167.4	-92.3	0	0	0	112.3	I798 P799 P801 G865 F866 F867 I872 L873 L883 C918	I798-Y869 HydrophobicContact CD1-CE1 4.11Å; P799-Y869 VanDerWaalsContact CD-OH 3.28Å; P799-Y869 WeakPolarHBondContact CD-OH 3.31Å; P799-Y869 PolarHBondContact O-OH 3.02Å; P801-Y869 HydrophobicContact CB-CD2 3.64Å; P801-Y869 HydrophobicContact CB-CE2 3.81Å; P801-Y869 HydrophobicContact CB-CG 4.13Å; P801-Y869 HydrophobicContact CG-CD2 4.25Å; P801-Y869 HydrophobicContact CG-CE2 3.97Å; G865-Y869 WeakPolarHBondContact O-CB 3.35Å; G865-Y869 PolarHBondContact O-N 3.21Å; F866-Y869 WeakPolarHBondContact O-CB 3.31Å; F866-Y869 PolarHBondContact O-N 3.28Å; F867-Y869 VanDerWaalsContact C-N 3.34Å; F867-Y869 PolarHBondContact O-N 2.82Å; Y869-I872 PolarHBondContact O-N 3.32Å; Y869-L873 HydrophobicContact CD1-CD1 4.09Å; Y869-L873 HydrophobicContact CD2-CD1 4.13Å; Y869-L873 HydrophobicContact CE1-CD1 3.5Å; Y869-L873 HydrophobicContact CE2-CD1 3.57Å; Y869-L873 HydrophobicContact CG-CD1 4.37Å; Y869-L873 PolarHBondContact O-N 3.39Å; Y869-L873 VanDerWaalsContact O-N 3.12Å; Y869-L873 WeakPolarHBondContact OH-CD1 3.37Å; Y869-L883 HydrophobicContact CE1-CD1 4.17Å; Y869-C918 HydrophobicContact CD2-CB 3.89Å; Y869-C918 HydrophobicContact CE2-CB 4.38Å
870	F	97.6	Very high	96.8	Very high	65 Å²	65	28.2 Å²	28.2	29%	0.285	15%	0.151	S	C	.	.	H	α-helix	trans	-67.5	-37.2	179.3	-70.5	-53.8	0	0	0	112.6	F866 F867 T868 A874 P880 L883	F866-F870 HydrophobicContact CB-CD2 4.46Å; F866-F870 HydrophobicContact CB-CE2 4.17Å; F866-F870 HydrophobicContact CD1-CE2 4.44Å; F866-F870 WeakPolarHBondContact O-CD2 3.39Å; F866-F870 WeakPolarHBondContact O-CG 3.35Å; F866-F870 PolarHBondContact O-N 3.43Å; F867-F870 PolarHBondContact O-N 3.32Å; T868-F870 PolarHBondContact O-N 2.81Å; F870-A874 WeakPolarHBondContact O-CB 3.46Å; F870-A874 PolarHBondContact O-N 3.21Å; F870-P880 HydrophobicContact CB-CG 4.11Å; F870-P880 HydrophobicContact CD1-CB 3.91Å; F870-P880 HydrophobicContact CD1-CG 4.14Å; F870-P880 HydrophobicContact CE1-CB 4.37Å; F870-P880 HydrophobicContact CG-CB 4.42Å; F870-P880 HydrophobicContact CG-CG 4.34Å; F870-L883 HydrophobicContact CD1-CD1 3.79Å; F870-L883 HydrophobicContact CE1-CD1 3.91Å
871	V	97.4	Very high	96.5	Very high	33 Å²	33	34 Å²	34	20%	0.2	18%	0.18	C	C	.	.	H	α-helix	trans	-60.1	-46.9	175.6	167.9	0	0	0	0	110.6	F867 T868 A874 E875	F867-V871 HydrophobicContact CD1-CG2 4.38Å; F867-V871 HydrophobicContact CD2-CG2 4.43Å; F867-V871 HydrophobicContact CE1-CG2 3.99Å; F867-V871 HydrophobicContact CE2-CG2 4.05Å; F867-V871 HydrophobicContact CZ-CG2 3.81Å; F867-V871 VanDerWaalsContact O-CG2 3.29Å; F867-V871 WeakPolarHBondContact O-CG2 3.43Å; F867-V871 PolarHBondContact O-N 2.94Å; T868-V871 PolarHBondContact O-N 2.85Å; V871-A874 PolarHBondContact O-N 3.17Å; V871-E875 HydrophobicContact CG1-CG 4.5Å; V871-E875 WeakPolarHBondContact O-CB 3.16Å; V871-E875 WeakPolarHBondContact O-CG 3.09Å; V871-E875 PolarHBondContact O-N 3.36Å
872	I	96.9	Very high	96.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-44.6	-177.6	-68.2	174.7	0	0	0	111.3	T868 Y869 E875 N876 C918 A921 W987	T868-I872 HydrophobicContact CG2-CD1 3.94Å; T868-I872 WeakPolarHBondContact O-CG1 3.42Å; T868-I872 PolarHBondContact O-N 3.48Å; Y869-I872 PolarHBondContact O-N 3.32Å; I872-E875 PolarHBondContact O-N 3.16Å; I872-N876 PolarHBondContact O-N 3.38Å; I872-N876 VanDerWaalsContact O-N 3.11Å; I872-N876 PolarHBondContact O-ND2 3.3Å; I872-C918 VanDerWaalsContact CG2-SG 3.54Å; I872-A921 HydrophobicContact CD1-CB 3.02Å; I872-A921 HydrophobicContact CG1-CB 4.5Å; I872-W987 HydrophobicContact CD1-CB 4.4Å; I872-W987 HydrophobicContact CD1-CD2 3.87Å; I872-W987 HydrophobicContact CD1-CE3 4.03Å; I872-W987 HydrophobicContact CD1-CG 4.07Å; I872-W987 HydrophobicContact CG1-CD2 3.82Å; I872-W987 HydrophobicContact CG1-CE3 4.37Å; I872-W987 HydrophobicContact CG1-CG 3.98Å; I872-W987 HydrophobicContact CG1-CZ2 4.21Å; I872-W987 HydrophobicContact CG2-CH2 4.24Å; I872-W987 HydrophobicContact CG2-CZ2 4.14Å
873	L	96.6	Very high	96	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-63.6	-43.6	177.6	-75.5	171	0	0	0	111.6	Y869 E875 N876 G877 F878 L883 W890 V914	Y869-L873 HydrophobicContact CD1-CD1 4.09Å; Y869-L873 HydrophobicContact CD2-CD1 4.13Å; Y869-L873 HydrophobicContact CE1-CD1 3.5Å; Y869-L873 HydrophobicContact CE2-CD1 3.57Å; Y869-L873 HydrophobicContact CG-CD1 4.37Å; Y869-L873 PolarHBondContact O-N 3.39Å; Y869-L873 VanDerWaalsContact O-N 3.12Å; Y869-L873 WeakPolarHBondContact OH-CD1 3.37Å; L873-E875 PolarHBondContact O-N 3.25Å; L873-N876 CarbonylContact O-C 3.48Å; L873-N876 PolarHBondContact O-N 2.82Å; L873-N876 VanDerWaalsContact O-N 3.13Å; L873-G877 PolarHBondContact O-N 3.4Å; L873-G877 VanDerWaalsContact O-N 3.1Å; L873-F878 CarbonylContact C-O 3.11Å; L873-F878 HydrophobicContact CB-CB 4.21Å; L873-F878 HydrophobicContact CD2-CB 4.45Å; L873-F878 PolarHBondContact O-N 3.29Å; L873-L883 HydrophobicContact CB-CD1 4.26Å; L873-L883 HydrophobicContact CD1-CD1 3.57Å; L873-L883 HydrophobicContact CD1-CD2 3.92Å; L873-L883 HydrophobicContact CD1-CG 4.43Å; L873-W890 HydrophobicContact CD2-CH2 3.96Å; L873-V914 HydrophobicContact CD2-CG1 3.86Å
874	A	96.6	Very high	95.7	Very high	26 Å²	26	41.1 Å²	41.1	22%	0.215	21%	0.213	C	C	.	.	H	α-helix	trans	-63.2	-41.9	178.5	0	0	0	0	0	112.5	F870 V871 N876 G877 F878 L879	F870-A874 WeakPolarHBondContact O-CB 3.46Å; F870-A874 PolarHBondContact O-N 3.21Å; V871-A874 PolarHBondContact O-N 3.17Å; A874-N876 PolarHBondContact O-N 3.31Å; A874-G877 PolarHBondContact O-N 3.48Å; A874-F878 VanDerWaalsContact CA-O 3.3Å; A874-F878 WeakPolarHBondContact CA-O 3.31Å; A874-F878 PolarHBondContact N-O 3.44Å; A874-F878 VanDerWaalsContact N-O 3.14Å; A874-L879 HydrophobicContact CB-CD2 4.33Å
875	E	95.9	Very high	95.4	Very high	102 Å²	102	43 Å²	43	48%	0.477	23%	0.232	S	C	.	.	H	α-helix	trans	-65.9	-25.9	175.5	-78	-173.8	-172.9	0	0	113.3	V871 I872 L873 K984 W987	V871-E875 HydrophobicContact CG1-CG 4.5Å; V871-E875 WeakPolarHBondContact O-CB 3.16Å; V871-E875 WeakPolarHBondContact O-CG 3.09Å; V871-E875 PolarHBondContact O-N 3.36Å; I872-E875 PolarHBondContact O-N 3.16Å; L873-E875 PolarHBondContact O-N 3.25Å; E875-K984 IonicContact OE2-NZ 3.74Å; E875-W987 PolarHBondContact OE2-NE1 2.77Å
876	N	95.4	Very high	95.2	Very high	39 Å²	39	43.8 Å²	43.8	21%	0.209	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	5.1	177.4	-72.6	-77.9	0	0	0	113.4	I872 L873 A874 W906 V914	I872-N876 PolarHBondContact O-N 3.38Å; I872-N876 VanDerWaalsContact O-N 3.11Å; I872-N876 PolarHBondContact O-ND2 3.3Å; L873-N876 CarbonylContact O-C 3.48Å; L873-N876 PolarHBondContact O-N 2.82Å; L873-N876 VanDerWaalsContact O-N 3.13Å; A874-N876 PolarHBondContact O-N 3.31Å; N876-W906 WeakPolarHBondContact O-CZ2 3.05Å; N876-V914 HydrophobicContact CB-CG1 4.17Å; N876-V914 HydrophobicContact CB-CG2 4.44Å
877	G	93.7	Very high	94.9	Very high	3 Å²	3	43.7 Å²	43.7	3%	0.031	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.4	-9.4	171	0	0	0	0	0	115.9	L873 A874 D900 S901 Y902	L873-G877 PolarHBondContact O-N 3.4Å; L873-G877 VanDerWaalsContact O-N 3.1Å; A874-G877 PolarHBondContact O-N 3.48Å; G877-D900 WeakPolarHBondContact O-CB 3.2Å; G877-S901 VanDerWaalsContact O-CB 3.27Å; G877-S901 WeakPolarHBondContact O-CB 2.95Å; G877-S901 PolarHBondContact O-N 3.24Å; G877-S901 PolarHBondContact O-OG 3.29Å; G877-Y902 WeakPolarHBondContact O-CD2 3.41Å
878	F	96.3	Very high	94.4	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.009	25%	0.247	C	C	.	.			trans	-103.6	97.7	-178.2	-63.6	-86.1	0	0	0	110.8	L873 A874 L883 I886 W890 L898 D900 W906	L873-F878 CarbonylContact C-O 3.11Å; L873-F878 HydrophobicContact CB-CB 4.21Å; L873-F878 HydrophobicContact CD2-CB 4.45Å; L873-F878 PolarHBondContact O-N 3.29Å; A874-F878 VanDerWaalsContact CA-O 3.3Å; A874-F878 WeakPolarHBondContact CA-O 3.31Å; A874-F878 PolarHBondContact N-O 3.44Å; A874-F878 VanDerWaalsContact N-O 3.14Å; F878-L883 HydrophobicContact CB-CD2 3.86Å; F878-I886 HydrophobicContact CD1-CD1 4.03Å; F878-I886 HydrophobicContact CE1-CD1 4.18Å; F878-W890 AromaticContact CD1-CZ3 3.94Å; F878-W890 HydrophobicContact CD1-CZ3 3.94Å; F878-W890 HydrophobicContact CD2-CH2 4.27Å; F878-W890 HydrophobicContact CD2-CZ3 4.12Å; F878-W890 HydrophobicContact CE1-CE3 4.45Å; F878-W890 AromaticContact CE1-CZ3 3.73Å; F878-W890 HydrophobicContact CE1-CZ3 3.73Å; F878-W890 HydrophobicContact CE2-CH2 4.1Å; F878-W890 AromaticContact CE2-CZ3 3.91Å; F878-W890 HydrophobicContact CE2-CZ3 3.91Å; F878-W890 HydrophobicContact CG-CZ3 4.13Å; F878-W890 HydrophobicContact CZ-CH2 4.31Å; F878-W890 AromaticContact CZ-CZ3 3.71Å; F878-W890 HydrophobicContact CZ-CZ3 3.71Å; F878-L898 HydrophobicContact CE1-CD2 4.38Å; F878-D900 HydrophobicContact CD1-CB 3.93Å; F878-D900 HydrophobicContact CD2-CB 4.41Å; F878-D900 HydrophobicContact CE1-CB 3.66Å; F878-D900 HydrophobicContact CE2-CB 4.18Å; F878-D900 HydrophobicContact CG-CB 4.29Å; F878-D900 HydrophobicContact CZ-CB 3.8Å; F878-W906 AromaticContact CE2-CD2 3.89Å; F878-W906 HydrophobicContact CE2-CD2 3.89Å; F878-W906 AromaticContact CE2-CE2 3.79Å; F878-W906 HydrophobicContact CE2-CE3 4.44Å; F878-W906 HydrophobicContact CE2-CG 4.08Å; F878-W906 HydrophobicContact CE2-CZ2 4.3Å; F878-W906 AromaticContact CE2-NE1 3.82Å; F878-W906 HydrophobicContact CZ-CB 4.29Å; F878-W906 AromaticContact CZ-CD1 3.6Å; F878-W906 HydrophobicContact CZ-CD2 4.07Å; F878-W906 AromaticContact CZ-CG 3.74Å; F878-W906 HydrophobicContact CZ-CG 3.74Å; F878-W906 AromaticContact CZ-NE1 3.87Å
879	L	94.9	Very high	94.2	Very high	65 Å²	65	48.8 Å²	48.8	34%	0.34	27%	0.27	S	S	.	.			trans	-68.8	147.3	179.6	-64.2	177.3	0	0	0	111.3	A874 M881 D882 S901	A874-L879 HydrophobicContact CB-CD2 4.33Å; L879-M881 PolarHBondContact O-N 3.32Å; L879-D882 PolarHBondContact O-N 3.38Å; L879-S901 WeakPolarHBondContact CB-OG 3.36Å; L879-S901 PolarHBondContact N-OG 2.84Å
880	P	93.5	Very high	94	Very high	55 Å²	55	48.7 Å²	48.7	36%	0.357	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-29.6	-174.7	-28.7	36.4	0	0	0	115.4	F870 D882	F870-P880 HydrophobicContact CB-CG 4.11Å; F870-P880 HydrophobicContact CD1-CB 3.91Å; F870-P880 HydrophobicContact CD1-CG 4.14Å; F870-P880 HydrophobicContact CE1-CB 4.37Å; F870-P880 HydrophobicContact CG-CB 4.42Å; F870-P880 HydrophobicContact CG-CG 4.34Å; P880-D882 VanDerWaalsContact C-N 3.34Å
881	M	91.8	Very high	93.6	Very high	160 Å²	160	48 Å²	48	79%	0.788	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-30.8	178.7	-68	-58.8	-140.9	0	0	112.9	L879 L883	L879-M881 PolarHBondContact O-N 3.32Å; M881-L883 VanDerWaalsContact C-N 3.34Å
882	D	91.8	Very high	93.1	Very high	86 Å²	86	49.5 Å²	49.5	46%	0.46	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-5	-176.3	-57.2	-34	0	0	0	112.2	L879 P880 S901	L879-D882 PolarHBondContact O-N 3.38Å; P880-D882 VanDerWaalsContact C-N 3.34Å; D882-S901 WeakPolarHBondContact OD2-CB 3.12Å; D882-S901 PolarHBondContact OD2-OG 2.67Å
883	L	93.2	Very high	92.6	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.9	178.1	-66.8	176.3	0	0	0	113.3	I798 P799 Y869 F870 L873 F878 M881 G885 I886	I798-L883 HydrophobicContact CG2-CB 4.16Å; I798-L883 WeakPolarHBondContact CG2-O 3.21Å; P799-L883 HydrophobicContact CG-CD2 4.46Å; Y869-L883 HydrophobicContact CE1-CD1 4.17Å; F870-L883 HydrophobicContact CD1-CD1 3.79Å; F870-L883 HydrophobicContact CE1-CD1 3.91Å; L873-L883 HydrophobicContact CB-CD1 4.26Å; L873-L883 HydrophobicContact CD1-CD1 3.57Å; L873-L883 HydrophobicContact CD1-CD2 3.92Å; L873-L883 HydrophobicContact CD1-CG 4.43Å; F878-L883 HydrophobicContact CB-CD2 3.86Å; M881-L883 VanDerWaalsContact C-N 3.34Å; L883-G885 PolarHBondContact O-N 3.31Å; L883-I886 HydrophobicContact CD2-CG2 4.34Å; L883-I886 WeakPolarHBondContact O-CG2 3.03Å; L883-I886 PolarHBondContact O-N 2.88Å
884	L	92.9	Very high	92.3	Very high	116 Å²	116	64.1 Å²	64.1	61%	0.607	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	120.7	-176.3	-65.6	176.4	0	0	0	110.6	A796 I798 I886	A796-L884 HydrophobicContact CB-CD2 3.94Å; I798-L884 HydrophobicContact CG2-CD2 4.28Å; L884-I886 PolarHBondContact O-N 3.48Å
885	G	90.7	Very high	92.1	Very high	40 Å²	40	64.2 Å²	64.2	41%	0.412	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	-4.2	-178.5	0	0	0	0	0	115.2	A796 N797 L883 R887	A796-G885 PolarHBondContact O-N 3.16Å; A796-G885 VanDerWaalsContact O-N 3.14Å; N797-G885 CarbonylContact O-C 3.52Å; N797-G885 WeakPolarHBondContact O-CA 3.21Å; N797-G885 PolarHBondContact O-N 3.44Å; L883-G885 PolarHBondContact O-N 3.31Å; G885-R887 PolarHBondContact O-N 3.32Å
886	I	93.1	Very high	92	Very high	16 Å²	16	63.1 Å²	63.1	8%	0.082	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-20.4	-174.9	-156	173.5	0	0	0	112.6	N797 P799 F878 L883 L884 V888 L889 W890 L898	N797-I886 PolarHBondContact O-N 3.03Å; P799-I886 VanDerWaalsContact CD-CG2 3.49Å; P799-I886 HydrophobicContact CG-CG2 3.76Å; F878-I886 HydrophobicContact CD1-CD1 4.03Å; F878-I886 HydrophobicContact CE1-CD1 4.18Å; L883-I886 HydrophobicContact CD2-CG2 4.34Å; L883-I886 WeakPolarHBondContact O-CG2 3.03Å; L883-I886 PolarHBondContact O-N 2.88Å; L884-I886 PolarHBondContact O-N 3.48Å; I886-V888 VanDerWaalsContact C-N 3.28Å; I886-V888 PolarHBondContact O-N 3.29Å; I886-V888 VanDerWaalsContact O-N 3.16Å; I886-L889 PolarHBondContact O-N 3.49Å; I886-W890 HydrophobicContact CD1-CE3 4.31Å; I886-W890 WeakPolarHBondContact O-CB 3.46Å; I886-W890 PolarHBondContact O-N 2.72Å; I886-L898 HydrophobicContact CD1-CD2 4.16Å; I886-L898 HydrophobicContact CG1-CD1 4.45Å; I886-L898 HydrophobicContact CG1-CD2 4.27Å
887	R	91.1	Very high	91.9	Very high	19 Å²	19	65.9 Å²	65.9	7%	0.072	35%	0.345	C	S	.	.	H	α-helix	trans	-49.6	-44.6	-175.2	178.6	-168.1	163.8	-178.8	-2.3	113.2	Y315 F323 F793 N797 G885 L889 W890 D891	Y315-R887 PolarHBondContact OH-NH1 3.13Å; F323-R887 VanDerWaalsContact CZ-NH1 3.27Å; F793-R887 VanDerWaalsContact CE2-CD 3.4Å; F793-R887 HydrophobicContact CE2-CG 3.88Å; F793-R887 VanDerWaalsContact CE2-NE 3.28Å; F793-R887 HydrophobicContact CZ-CG 4.48Å; N797-R887 VanDerWaalsContact C-CB 3.44Å; N797-R887 HydrophobicContact CB-CB 4.28Å; N797-R887 WeakPolarHBondContact O-CB 3.14Å; N797-R887 PolarHBondContact O-N 3.4Å; G885-R887 PolarHBondContact O-N 3.32Å; R887-L889 VanDerWaalsContact C-N 3.26Å; R887-L889 PolarHBondContact O-N 2.62Å; R887-W890 WeakPolarHBondContact O-CB 3.45Å; R887-W890 PolarHBondContact O-N 2.72Å; R887-D891 VanDerWaalsContact CG-OD2 3.3Å; R887-D891 WeakPolarHBondContact CG-OD2 3.35Å; R887-D891 IonicContact NE-OD2 3.65Å; R887-D891 PolarHBondContact NE-OD2 3.09Å; R887-D891 PolarHBondContact O-N 3.17Å
888	V	88.3	Confident	91.9	Very high	105 Å²	105	66.4 Å²	66.4	64%	0.636	35%	0.347	S	S	*	.	H	α-helix	trans	-57.6	-43.6	-177.5	-179.4	0	0	0	0	110.7	I886	I886-V888 VanDerWaalsContact C-N 3.28Å; I886-V888 PolarHBondContact O-N 3.29Å; I886-V888 VanDerWaalsContact O-N 3.16Å
889	L	92.1	Very high	91.8	Very high	89 Å²	89	72.5 Å²	72.5	47%	0.466	38%	0.375	S	S	.	.	H	α-helix	trans	-77.8	-29.1	177.5	-60.5	174.3	0	0	0	112.3	I886 R887 L898 R911	I886-L889 PolarHBondContact O-N 3.49Å; R887-L889 VanDerWaalsContact C-N 3.26Å; R887-L889 PolarHBondContact O-N 2.62Å; L889-L898 HydrophobicContact CB-CD1 3.8Å; L889-L898 HydrophobicContact CD1-CD1 4.05Å; L889-R911 PolarHBondContact O-NH1 2.77Å; L889-R911 PolarHBondContact O-NH2 3.5Å
890	W	93.5	Very high	91.8	Very high	0 Å²	0	70 Å²	70	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-72.8	-40.4	-178.5	-171.4	-80.5	0	0	0	113.1	P799 L873 F878 I886 R887 L898 R911 E915	P799-W890 HydrophobicContact CB-CD2 4Å; P799-W890 HydrophobicContact CB-CG 4.14Å; P799-W890 HydrophobicContact CB-CZ2 4.23Å; P799-W890 HydrophobicContact CG-CB 4.47Å; P799-W890 HydrophobicContact CG-CD2 3.53Å; P799-W890 HydrophobicContact CG-CE3 3.77Å; P799-W890 HydrophobicContact CG-CG 3.85Å; P799-W890 HydrophobicContact CG-CH2 4.43Å; P799-W890 HydrophobicContact CG-CZ2 4.23Å; P799-W890 HydrophobicContact CG-CZ3 4.21Å; L873-W890 HydrophobicContact CD2-CH2 3.96Å; F878-W890 AromaticContact CD1-CZ3 3.94Å; F878-W890 HydrophobicContact CD1-CZ3 3.94Å; F878-W890 HydrophobicContact CD2-CH2 4.27Å; F878-W890 HydrophobicContact CD2-CZ3 4.12Å; F878-W890 HydrophobicContact CE1-CE3 4.45Å; F878-W890 AromaticContact CE1-CZ3 3.73Å; F878-W890 HydrophobicContact CE1-CZ3 3.73Å; F878-W890 HydrophobicContact CE2-CH2 4.1Å; F878-W890 AromaticContact CE2-CZ3 3.91Å; F878-W890 HydrophobicContact CE2-CZ3 3.91Å; F878-W890 HydrophobicContact CG-CZ3 4.13Å; F878-W890 HydrophobicContact CZ-CH2 4.31Å; F878-W890 AromaticContact CZ-CZ3 3.71Å; F878-W890 HydrophobicContact CZ-CZ3 3.71Å; I886-W890 HydrophobicContact CD1-CE3 4.31Å; I886-W890 WeakPolarHBondContact O-CB 3.46Å; I886-W890 PolarHBondContact O-N 2.72Å; R887-W890 WeakPolarHBondContact O-CB 3.45Å; R887-W890 PolarHBondContact O-N 2.72Å; W890-L898 HydrophobicContact CE3-CD2 3.82Å; W890-L898 HydrophobicContact CZ3-CD2 4.49Å; W890-R911 HydrophobicContact CD2-CB 4.45Å; W890-R911 HydrophobicContact CD2-CG 4.47Å; W890-R911 HydrophobicContact CE3-CB 4.48Å; W890-R911 HydrophobicContact CH2-CB 3.85Å; W890-R911 HydrophobicContact CZ2-CB 3.8Å; W890-R911 HydrophobicContact CZ2-CG 4.45Å; W890-R911 VanDerWaalsContact CZ2-O 3.25Å; W890-R911 WeakPolarHBondContact CZ2-O 3.3Å; W890-R911 HydrophobicContact CZ3-CB 4.2Å; W890-R911 PolarHBondContact O-NE 2.76Å; W890-R911 PolarHBondContact O-NH2 2.87Å; W890-E915 HydrophobicContact CZ2-CB 4.1Å; W890-E915 PolarHBondContact NE1-OE2 3.23Å
891	D	89.2	Confident	91.9	Very high	51 Å²	51	69.1 Å²	69.1	27%	0.273	36%	0.357	S	S	.	.	H	α-helix	trans	-83.2	-16.3	-179.9	-73.2	-23	0	0	0	112.8	R887 K893 K912	R887-D891 VanDerWaalsContact CG-OD2 3.3Å; R887-D891 WeakPolarHBondContact CG-OD2 3.35Å; R887-D891 IonicContact NE-OD2 3.65Å; R887-D891 PolarHBondContact NE-OD2 3.09Å; R887-D891 PolarHBondContact O-N 3.17Å; D891-K893 PolarHBondContact O-N 3.27Å; D891-K912 IonicContact OD1-NZ 3.83Å; D891-K912 PolarHBondContact OD1-NZ 3.06Å
892	D	88.3	Confident	92	Very high	63 Å²	63	68.7 Å²	68.7	34%	0.337	35%	0.348	S	S	.	.			trans	-69.8	111.1	179.2	-171.5	-20.4	0	0	0	112	Y894 V895 R911	D892-Y894 PolarHBondContact O-N 3.46Å; D892-Y894 VanDerWaalsContact O-N 3.14Å; D892-Y894 WeakPolarHBondContact OD1-CB 3.32Å; D892-Y894 WeakPolarHBondContact OD1-CD2 3.24Å; D892-Y894 PolarHBondContact OD1-N 2.93Å; D892-V895 HydrophobicContact CB-CB 4.36Å; D892-V895 HydrophobicContact CB-CG2 3.88Å; D892-V895 PolarHBondContact O-N 3.48Å; D892-R911 PolarHBondContact O-NH2 3.48Å
893	K	86.2	Confident	92	Very high	102 Å²	102	66.5 Å²	66.5	44%	0.443	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-22.6	179.9	-65.2	178.8	-177.4	173.7	0	113.8	D891 N896 Y908	D891-K893 PolarHBondContact O-N 3.27Å; K893-N896 PolarHBondContact O-ND2 3.33Å; K893-Y908 HydrophobicContact CB-CD2 4.44Å; K893-Y908 HydrophobicContact CB-CE2 4.41Å; K893-Y908 HydrophobicContact CG-CD2 4.31Å; K893-Y908 HydrophobicContact CG-CE1 4.26Å; K893-Y908 HydrophobicContact CG-CE2 3.81Å
894	Y	89.7	Confident	92.1	Very high	207 Å²	207	71.4 Å²	71.4	81%	0.812	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-20.7	-176	-56.1	-70.6	0	0	0	112.8	D892 N896	D892-Y894 PolarHBondContact O-N 3.46Å; D892-Y894 VanDerWaalsContact O-N 3.14Å; D892-Y894 WeakPolarHBondContact OD1-CB 3.32Å; D892-Y894 WeakPolarHBondContact OD1-CD2 3.24Å; D892-Y894 PolarHBondContact OD1-N 2.93Å; Y894-N896 PolarHBondContact O-N 3.02Å; Y894-N896 PolarHBondContact O-ND2 2.91Å
895	V	92	Very high	92.2	Very high	27 Å²	27	72.6 Å²	72.6	16%	0.164	37%	0.371	C	S	.	.			trans	-79.2	111	175.5	178.6	0	0	0	0	109.6	D892 L898 R911	D892-V895 HydrophobicContact CB-CB 4.36Å; D892-V895 HydrophobicContact CB-CG2 3.88Å; D892-V895 PolarHBondContact O-N 3.48Å; V895-L898 HydrophobicContact CG1-CB 4.08Å; V895-R911 PolarHBondContact O-NH2 3.45Å
896	N	93.5	Very high	92.4	Very high	79 Å²	79	72.4 Å²	72.4	42%	0.422	36%	0.358	S	S	.	.			trans	-118.4	8.3	-177.8	-77.2	-76.4	0	0	0	114	K893 Y894 W906 T907 Y908	K893-N896 PolarHBondContact O-ND2 3.33Å; Y894-N896 PolarHBondContact O-N 3.02Å; Y894-N896 PolarHBondContact O-ND2 2.91Å; N896-W906 CarbonylContact C-O 3.58Å; N896-W906 VanDerWaalsContact C-O 3.24Å; N896-W906 CarbonylContact O-C 3.33Å; N896-T907 WeakPolarHBondContact O-CA 3.34Å; N896-Y908 PolarHBondContact OD1-N 2.98Å; N896-Y908 VanDerWaalsContact OD1-N 3.15Å
897	D	93.6	Very high	92.6	Very high	98 Å²	98	74.2 Å²	74.2	52%	0.524	37%	0.369	S	S	.	.			trans	-133.5	30.4	-174.6	58.2	-25.4	0	0	0	111.6	E899 Q905 W906	D897-E899 PolarHBondContact O-N 3.39Å; D897-Q905 HydrophobicContact CB-CG 4.44Å; D897-W906 PolarHBondContact N-O 3.33Å
898	L	94.6	Very high	92.6	Very high	14 Å²	14	75.5 Å²	75.5	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	121.7	179	-179.6	65.1	0	0	0	110.2	F878 I886 L889 W890 V895 Q905 W906 R911	F878-L898 HydrophobicContact CE1-CD2 4.38Å; I886-L898 HydrophobicContact CD1-CD2 4.16Å; I886-L898 HydrophobicContact CG1-CD1 4.45Å; I886-L898 HydrophobicContact CG1-CD2 4.27Å; L889-L898 HydrophobicContact CB-CD1 3.8Å; L889-L898 HydrophobicContact CD1-CD1 4.05Å; W890-L898 HydrophobicContact CE3-CD2 3.82Å; W890-L898 HydrophobicContact CZ3-CD2 4.49Å; V895-L898 HydrophobicContact CG1-CB 4.08Å; L898-Q905 WeakPolarHBondContact O-CA 3.4Å; L898-W906 PolarHBondContact N-O 3.31Å; L898-W906 PolarHBondContact O-N 3.03Å; L898-R911 VanDerWaalsContact CB-NH1 3.32Å; L898-R911 VanDerWaalsContact CD2-NH1 3.32Å
899	E	93.9	Very high	92.8	Very high	130 Å²	130	76.4 Å²	76.4	61%	0.607	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.6	133.7	-179.4	-163.6	174.1	178.9	0	0	111.1	D897 G903 Q904	D897-E899 PolarHBondContact O-N 3.39Å; E899-G903 WeakPolarHBondContact OE1-CA 3.23Å; E899-Q904 CarbonylContact C-O 3.54Å; E899-Q904 VanDerWaalsContact CA-O 3.29Å; E899-Q904 WeakPolarHBondContact CA-O 3.38Å
900	D	94.3	Very high	92.9	Very high	11 Å²	11	79.9 Å²	79.9	6%	0.059	38%	0.379	C	S	.	.			trans	-91.1	178.9	171.6	76.7	8.4	0	0	0	112.2	G877 F878 Y902 G903 Q904 W906	G877-D900 WeakPolarHBondContact O-CB 3.2Å; F878-D900 HydrophobicContact CD1-CB 3.93Å; F878-D900 HydrophobicContact CD2-CB 4.41Å; F878-D900 HydrophobicContact CE1-CB 3.66Å; F878-D900 HydrophobicContact CE2-CB 4.18Å; F878-D900 HydrophobicContact CG-CB 4.29Å; F878-D900 HydrophobicContact CZ-CB 3.8Å; D900-Y902 PolarHBondContact O-N 3.24Å; D900-Y902 VanDerWaalsContact O-N 3.09Å; D900-Y902 WeakPolarHBondContact OD1-CA 3.11Å; D900-Y902 PolarHBondContact OD1-N 2.89Å; D900-G903 PolarHBondContact O-N 3.44Å; D900-G903 VanDerWaalsContact O-N 3.07Å; D900-G903 PolarHBondContact OD1-N 3.21Å; D900-Q904 PolarHBondContact N-O 3.41Å; D900-Q904 PolarHBondContact OD1-N 3.09Å; D900-Q904 WeakPolarHBondContact OD2-CB 3.49Å; D900-Q904 PolarHBondContact OD2-NE2 2.95Å; D900-W906 PolarHBondContact OD2-NE1 3.2Å
901	S	95.2	Very high	93	Very high	37 Å²	37	79.9 Å²	79.9	26%	0.259	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-15.1	-178.1	-52.6	0	0	0	0	114.3	G877 L879 D882	G877-S901 VanDerWaalsContact O-CB 3.27Å; G877-S901 WeakPolarHBondContact O-CB 2.95Å; G877-S901 PolarHBondContact O-N 3.24Å; G877-S901 PolarHBondContact O-OG 3.29Å; L879-S901 WeakPolarHBondContact CB-OG 3.36Å; L879-S901 PolarHBondContact N-OG 2.84Å; D882-S901 WeakPolarHBondContact OD2-CB 3.12Å; D882-S901 PolarHBondContact OD2-OG 2.67Å
902	Y	94.7	Very high	93.2	Very high	152 Å²	152	78.1 Å²	78.1	60%	0.596	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.1	4.8	179	-62	-82.6	0	0	0	112.5	G877 D900	G877-Y902 WeakPolarHBondContact O-CD2 3.41Å; D900-Y902 PolarHBondContact O-N 3.24Å; D900-Y902 VanDerWaalsContact O-N 3.09Å; D900-Y902 WeakPolarHBondContact OD1-CA 3.11Å; D900-Y902 PolarHBondContact OD1-N 2.89Å
903	G	92.7	Very high	93.5	Very high	39 Å²	39	78.3 Å²	78.3	40%	0.402	37%	0.369	S	S	.	.	S	Bend	trans	81.7	17.2	179	0	0	0	0	0	114.8	E899 D900	E899-G903 WeakPolarHBondContact OE1-CA 3.23Å; D900-G903 PolarHBondContact O-N 3.44Å; D900-G903 VanDerWaalsContact O-N 3.07Å; D900-G903 PolarHBondContact OD1-N 3.21Å
904	Q	94.8	Very high	94	Very high	105 Å²	105	73.9 Å²	73.9	49%	0.491	35%	0.351	S	S	.	.			trans	-88	146.9	175.4	-54.4	171.1	84	0	0	110.8	E899 D900	E899-Q904 CarbonylContact C-O 3.54Å; E899-Q904 VanDerWaalsContact CA-O 3.29Å; E899-Q904 WeakPolarHBondContact CA-O 3.38Å; D900-Q904 PolarHBondContact N-O 3.41Å; D900-Q904 PolarHBondContact OD1-N 3.09Å; D900-Q904 WeakPolarHBondContact OD2-CB 3.49Å; D900-Q904 PolarHBondContact OD2-NE2 2.95Å
905	Q	94.8	Very high	94.3	Very high	140 Å²	140	64.5 Å²	64.5	65%	0.654	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.7	131.6	178.5	-68.9	-178.7	-25.6	0	0	111.9	D897 L898	D897-Q905 HydrophobicContact CB-CG 4.44Å; L898-Q905 WeakPolarHBondContact O-CA 3.4Å
906	W	95.9	Very high	94.5	Very high	36 Å²	36	64.6 Å²	64.6	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	129.6	-176.8	-71	77.6	0	0	0	112.2	N876 F878 N896 D897 L898 D900 R910 R911 V914	N876-W906 WeakPolarHBondContact O-CZ2 3.05Å; F878-W906 AromaticContact CE2-CD2 3.89Å; F878-W906 HydrophobicContact CE2-CD2 3.89Å; F878-W906 AromaticContact CE2-CE2 3.79Å; F878-W906 HydrophobicContact CE2-CE3 4.44Å; F878-W906 HydrophobicContact CE2-CG 4.08Å; F878-W906 HydrophobicContact CE2-CZ2 4.3Å; F878-W906 AromaticContact CE2-NE1 3.82Å; F878-W906 HydrophobicContact CZ-CB 4.29Å; F878-W906 AromaticContact CZ-CD1 3.6Å; F878-W906 HydrophobicContact CZ-CD2 4.07Å; F878-W906 AromaticContact CZ-CG 3.74Å; F878-W906 HydrophobicContact CZ-CG 3.74Å; F878-W906 AromaticContact CZ-NE1 3.87Å; N896-W906 CarbonylContact C-O 3.58Å; N896-W906 VanDerWaalsContact C-O 3.24Å; N896-W906 CarbonylContact O-C 3.33Å; D897-W906 PolarHBondContact N-O 3.33Å; L898-W906 PolarHBondContact N-O 3.31Å; L898-W906 PolarHBondContact O-N 3.03Å; D900-W906 PolarHBondContact OD2-NE1 3.2Å; W906-R910 HydrophobicContact CE3-CB 3.76Å; W906-R910 HydrophobicContact CZ3-CB 4.14Å; W906-R911 HydrophobicContact CB-CB 4.47Å; W906-V914 HydrophobicContact CH2-CG2 4.12Å; W906-V914 HydrophobicContact CZ3-CG2 3.68Å
907	T	95.9	Very high	94.6	Very high	54 Å²	54	61.5 Å²	61.5	33%	0.331	30%	0.297	S	S	.	.			trans	-75.5	159.3	171.5	65.1	0	0	0	0	111.4	N896 E909 R910 R911	N896-T907 WeakPolarHBondContact O-CA 3.34Å; T907-E909 VanDerWaalsContact C-N 3.34Å; T907-E909 PolarHBondContact O-N 3.06Å; T907-R910 PolarHBondContact O-N 2.97Å; T907-R910 WeakPolarHBondContact OG1-CG 3.38Å; T907-R910 PolarHBondContact OG1-N 3.16Å; T907-R911 WeakPolarHBondContact O-CG 3.32Å; T907-R911 PolarHBondContact O-N 3.16Å; T907-R911 VanDerWaalsContact O-N 3.11Å
908	Y	92.4	Very high	94.8	Very high	46 Å²	46	56.9 Å²	56.9	18%	0.18	27%	0.272	C	S	.	.	H	α-helix	trans	-53.2	-49.1	179.6	176.4	-96.8	0	0	0	112.6	K893 N896 R910 R911 K912	K893-Y908 HydrophobicContact CB-CD2 4.44Å; K893-Y908 HydrophobicContact CB-CE2 4.41Å; K893-Y908 HydrophobicContact CG-CD2 4.31Å; K893-Y908 HydrophobicContact CG-CE1 4.26Å; K893-Y908 HydrophobicContact CG-CE2 3.81Å; N896-Y908 PolarHBondContact OD1-N 2.98Å; N896-Y908 VanDerWaalsContact OD1-N 3.15Å; Y908-R910 PolarHBondContact O-N 2.99Å; Y908-R911 WeakPolarHBondContact O-CG 3.23Å; Y908-R911 PolarHBondContact O-N 2.89Å; Y908-K912 HydrophobicContact CD1-CG 4.26Å; Y908-K912 HydrophobicContact CD2-CG 4.26Å; Y908-K912 HydrophobicContact CE1-CG 3.86Å; Y908-K912 HydrophobicContact CE2-CD 4.26Å; Y908-K912 HydrophobicContact CE2-CG 3.87Å; Y908-K912 HydrophobicContact CG-CG 4.45Å; Y908-K912 WeakPolarHBondContact O-CB 3.29Å; Y908-K912 VanDerWaalsContact O-CG 3.28Å; Y908-K912 WeakPolarHBondContact O-CG 3.35Å; Y908-K912 PolarHBondContact O-N 2.91Å
909	E	91.8	Very high	94.9	Very high	124 Å²	124	56.7 Å²	56.7	58%	0.579	27%	0.27	S	S	*	.	H	α-helix	trans	-62.7	-42.7	180	-68.3	-58.9	144.5	0	0	112.5	T907 R911 K912 I913	T907-E909 VanDerWaalsContact C-N 3.34Å; T907-E909 PolarHBondContact O-N 3.06Å; E909-R911 PolarHBondContact O-N 3.41Å; E909-K912 PolarHBondContact O-N 3.47Å; E909-I913 VanDerWaalsContact O-CG1 3.29Å; E909-I913 WeakPolarHBondContact O-CG1 3.07Å; E909-I913 PolarHBondContact O-N 3.36Å
910	R	93.9	Very high	95.1	Very high	162 Å²	162	50.5 Å²	50.5	61%	0.611	24%	0.241	S	C	*	.	H	α-helix	trans	-65.7	-42.8	-177.8	-75.9	-175.6	174.8	-167.2	0.4	112.1	W906 T907 Y908 I913 V914	W906-R910 HydrophobicContact CE3-CB 3.76Å; W906-R910 HydrophobicContact CZ3-CB 4.14Å; T907-R910 PolarHBondContact O-N 2.97Å; T907-R910 WeakPolarHBondContact OG1-CG 3.38Å; T907-R910 PolarHBondContact OG1-N 3.16Å; Y908-R910 PolarHBondContact O-N 2.99Å; R910-I913 PolarHBondContact O-N 3.39Å; R910-V914 PolarHBondContact O-N 3.24Å
911	R	94.8	Very high	95.2	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-34.5	177	67.3	-174.6	-179.6	-168.8	2.1	111.9	L889 W890 D892 V895 L898 W906 T907 Y908 E909 V914 E915	L889-R911 PolarHBondContact O-NH1 2.77Å; L889-R911 PolarHBondContact O-NH2 3.5Å; W890-R911 HydrophobicContact CD2-CB 4.45Å; W890-R911 HydrophobicContact CD2-CG 4.47Å; W890-R911 HydrophobicContact CE3-CB 4.48Å; W890-R911 HydrophobicContact CH2-CB 3.85Å; W890-R911 HydrophobicContact CZ2-CB 3.8Å; W890-R911 HydrophobicContact CZ2-CG 4.45Å; W890-R911 VanDerWaalsContact CZ2-O 3.25Å; W890-R911 WeakPolarHBondContact CZ2-O 3.3Å; W890-R911 HydrophobicContact CZ3-CB 4.2Å; W890-R911 PolarHBondContact O-NE 2.76Å; W890-R911 PolarHBondContact O-NH2 2.87Å; D892-R911 PolarHBondContact O-NH2 3.48Å; V895-R911 PolarHBondContact O-NH2 3.45Å; L898-R911 VanDerWaalsContact CB-NH1 3.32Å; L898-R911 VanDerWaalsContact CD2-NH1 3.32Å; W906-R911 HydrophobicContact CB-CB 4.47Å; T907-R911 WeakPolarHBondContact O-CG 3.32Å; T907-R911 PolarHBondContact O-N 3.16Å; T907-R911 VanDerWaalsContact O-N 3.11Å; Y908-R911 WeakPolarHBondContact O-CG 3.23Å; Y908-R911 PolarHBondContact O-N 2.89Å; E909-R911 PolarHBondContact O-N 3.41Å; R911-V914 WeakPolarHBondContact O-CB 3.3Å; R911-V914 PolarHBondContact O-N 2.76Å; R911-V914 VanDerWaalsContact O-N 3.17Å; R911-E915 PolarHBondContact O-N 3.48Å
912	K	94.4	Very high	95.4	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.065	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-35	174.3	-72	-69.8	172.5	-171.2	0	112.7	D891 Y908 E909 V914 E915 F916	D891-K912 IonicContact OD1-NZ 3.83Å; D891-K912 PolarHBondContact OD1-NZ 3.06Å; Y908-K912 HydrophobicContact CD1-CG 4.26Å; Y908-K912 HydrophobicContact CD2-CG 4.26Å; Y908-K912 HydrophobicContact CE1-CG 3.86Å; Y908-K912 HydrophobicContact CE2-CD 4.26Å; Y908-K912 HydrophobicContact CE2-CG 3.87Å; Y908-K912 HydrophobicContact CG-CG 4.45Å; Y908-K912 WeakPolarHBondContact O-CB 3.29Å; Y908-K912 VanDerWaalsContact O-CG 3.28Å; Y908-K912 WeakPolarHBondContact O-CG 3.35Å; Y908-K912 PolarHBondContact O-N 2.91Å; E909-K912 PolarHBondContact O-N 3.47Å; K912-V914 VanDerWaalsContact C-N 3.32Å; K912-V914 PolarHBondContact O-N 2.8Å; K912-E915 VanDerWaalsContact CD-OE2 3.27Å; K912-E915 WeakPolarHBondContact CD-OE2 3.49Å; K912-E915 WeakPolarHBondContact CE-OE2 3.22Å; K912-E915 IonicContact NZ-OE1 3.27Å; K912-E915 IonicContact NZ-OE2 2.73Å; K912-E915 PolarHBondContact NZ-OE2 3.44Å; K912-E915 WeakPolarHBondContact O-CB 3.32Å; K912-E915 PolarHBondContact O-N 3.44Å; K912-F916 HydrophobicContact CB-CE2 4.07Å; K912-F916 WeakPolarHBondContact O-CD2 3.47Å; K912-F916 VanDerWaalsContact O-CG 3.3Å; K912-F916 WeakPolarHBondContact O-CG 3.28Å; K912-F916 PolarHBondContact O-N 2.83Å
913	I	95.4	Very high	95.5	Very high	67 Å²	67	41 Å²	41	34%	0.344	20%	0.198	S	C	.	.	H	α-helix	trans	-58.9	-44.5	169.5	-70.9	163.6	0	0	0	110.8	E909 R910 F916 T917 Y981	E909-I913 VanDerWaalsContact O-CG1 3.29Å; E909-I913 WeakPolarHBondContact O-CG1 3.07Å; E909-I913 PolarHBondContact O-N 3.36Å; R910-I913 PolarHBondContact O-N 3.39Å; I913-F916 PolarHBondContact O-N 3.4Å; I913-T917 WeakPolarHBondContact O-CB 3.44Å; I913-T917 PolarHBondContact O-N 3.49Å; I913-T917 PolarHBondContact O-OG1 3.05Å; I913-Y981 HydrophobicContact CB-CE1 4.33Å; I913-Y981 HydrophobicContact CG1-CE1 4.04Å; I913-Y981 HydrophobicContact CG2-CD1 3.98Å; I913-Y981 HydrophobicContact CG2-CE1 3.74Å
914	V	96.1	Very high	95.7	Very high	9 Å²	9	39.2 Å²	39.2	6%	0.055	18%	0.179	C	C	.	.	H	α-helix	trans	-64.2	-42.7	176.3	177.7	0	0	0	0	110.9	L873 N876 W906 R910 R911 K912 T917 C918	L873-V914 HydrophobicContact CD2-CG1 3.86Å; N876-V914 HydrophobicContact CB-CG1 4.17Å; N876-V914 HydrophobicContact CB-CG2 4.44Å; W906-V914 HydrophobicContact CH2-CG2 4.12Å; W906-V914 HydrophobicContact CZ3-CG2 3.68Å; R910-V914 PolarHBondContact O-N 3.24Å; R911-V914 WeakPolarHBondContact O-CB 3.3Å; R911-V914 PolarHBondContact O-N 2.76Å; R911-V914 VanDerWaalsContact O-N 3.17Å; K912-V914 VanDerWaalsContact C-N 3.32Å; K912-V914 PolarHBondContact O-N 2.8Å; V914-T917 WeakPolarHBondContact O-CB 3.45Å; V914-T917 PolarHBondContact O-N 3.27Å; V914-C918 PolarHBondContact O-N 2.89Å; V914-C918 PolarHBondContact O-SG 3.06Å; V914-C918 VanDerWaalsContact O-SG 3.34Å
915	E	95.9	Very high	95.9	Very high	9 Å²	9	34.2 Å²	34.2	4%	0.042	16%	0.156	C	C	.	.	H	α-helix	trans	-58.8	-48.8	175.8	-172.8	-174.7	147.9	0	0	112.4	W890 R911 K912 T917 C918 H919	W890-E915 HydrophobicContact CZ2-CB 4.1Å; W890-E915 PolarHBondContact NE1-OE2 3.23Å; R911-E915 PolarHBondContact O-N 3.48Å; K912-E915 VanDerWaalsContact CD-OE2 3.27Å; K912-E915 WeakPolarHBondContact CD-OE2 3.49Å; K912-E915 WeakPolarHBondContact CE-OE2 3.22Å; K912-E915 IonicContact NZ-OE1 3.27Å; K912-E915 IonicContact NZ-OE2 2.73Å; K912-E915 PolarHBondContact NZ-OE2 3.44Å; K912-E915 WeakPolarHBondContact O-CB 3.32Å; K912-E915 PolarHBondContact O-N 3.44Å; E915-T917 VanDerWaalsContact C-N 3.28Å; E915-T917 PolarHBondContact O-N 3.09Å; E915-C918 CarbonylContact O-C 3.24Å; E915-C918 WeakPolarHBondContact O-CA 3.27Å; E915-C918 VanDerWaalsContact O-CB 3.24Å; E915-C918 WeakPolarHBondContact O-CB 3.49Å; E915-C918 PolarHBondContact O-N 2.94Å; E915-H919 PolarHBondContact O-CD2 3.27Å; E915-H919 PolarHBondContact O-N 3.46Å; E915-H919 IonicContact OE1-CE1 2.75Å; E915-H919 IonicContact OE1-NE2 2.77Å
916	F	95.8	Very high	96	Very high	30 Å²	30	27.6 Å²	27.6	13%	0.132	13%	0.125	C	C	.	.	H	α-helix	trans	-67.5	-29.9	177.7	-62.8	-40.3	0	0	0	112.5	K912 I913 C918 H919 T920 R979 Y981	K912-F916 HydrophobicContact CB-CE2 4.07Å; K912-F916 WeakPolarHBondContact O-CD2 3.47Å; K912-F916 VanDerWaalsContact O-CG 3.3Å; K912-F916 WeakPolarHBondContact O-CG 3.28Å; K912-F916 PolarHBondContact O-N 2.83Å; I913-F916 PolarHBondContact O-N 3.4Å; F916-C918 VanDerWaalsContact C-N 3.35Å; F916-H919 AromaticContact CD1-CE1 3.84Å; F916-H919 AromaticContact CD1-ND1 3.66Å; F916-H919 PolarHBondContact O-N 3.45Å; F916-T920 PolarHBondContact O-N 3.38Å; F916-T920 PolarHBondContact O-OG1 3.42Å; F916-R979 HydrophobicContact CB-CB 4.43Å; F916-R979 HydrophobicContact CD1-CB 4.09Å; F916-R979 HydrophobicContact CD2-CB 4.38Å; F916-R979 HydrophobicContact CG-CB 4.05Å; F916-Y981 HydrophobicContact CB-CD2 3.5Å; F916-Y981 VanDerWaalsContact CB-CD2 3.5Å; F916-Y981 HydrophobicContact CB-CE2 3.46Å; F916-Y981 VanDerWaalsContact CB-CE2 3.46Å; F916-Y981 AromaticContact CD2-CE2 3.89Å; F916-Y981 HydrophobicContact CD2-CE2 3.89Å; F916-Y981 HydrophobicContact CG-CE2 4.1Å
917	T	96.7	Very high	96.2	Very high	14 Å²	14	26 Å²	26	9%	0.086	12%	0.119	C	C	.	.	H	α-helix	trans	-64.3	-40.9	168.7	-55.9	0	0	0	0	111	I913 V914 E915 T920 A921 Y981 L983 W987	I913-T917 WeakPolarHBondContact O-CB 3.44Å; I913-T917 PolarHBondContact O-N 3.49Å; I913-T917 PolarHBondContact O-OG1 3.05Å; V914-T917 WeakPolarHBondContact O-CB 3.45Å; V914-T917 PolarHBondContact O-N 3.27Å; E915-T917 VanDerWaalsContact C-N 3.28Å; E915-T917 PolarHBondContact O-N 3.09Å; T917-T920 PolarHBondContact O-N 2.92Å; T917-A921 WeakPolarHBondContact O-CB 3.34Å; T917-A921 PolarHBondContact O-N 2.95Å; T917-Y981 WeakPolarHBondContact OG1-CB 3.49Å; T917-L983 HydrophobicContact CG2-CD2 4.12Å; T917-W987 HydrophobicContact CG2-CE3 4.22Å; T917-W987 HydrophobicContact CG2-CH2 3.87Å; T917-W987 HydrophobicContact CG2-CZ3 3.35Å
918	C	97.3	Very high	96.3	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.7	-42.8	172.1	-68.3	0	0	0	0	111.8	Y869 I872 V914 E915 F916 T920 A921 F922	Y869-C918 HydrophobicContact CD2-CB 3.89Å; Y869-C918 HydrophobicContact CE2-CB 4.38Å; I872-C918 VanDerWaalsContact CG2-SG 3.54Å; V914-C918 PolarHBondContact O-N 2.89Å; V914-C918 PolarHBondContact O-SG 3.06Å; V914-C918 VanDerWaalsContact O-SG 3.34Å; E915-C918 CarbonylContact O-C 3.24Å; E915-C918 WeakPolarHBondContact O-CA 3.27Å; E915-C918 VanDerWaalsContact O-CB 3.24Å; E915-C918 WeakPolarHBondContact O-CB 3.49Å; E915-C918 PolarHBondContact O-N 2.94Å; F916-C918 VanDerWaalsContact C-N 3.35Å; C918-T920 VanDerWaalsContact C-N 3.3Å; C918-T920 PolarHBondContact O-N 3.45Å; C918-A921 PolarHBondContact O-N 3.14Å; C918-F922 VanDerWaalsContact O-CB 3.32Å; C918-F922 WeakPolarHBondContact O-CB 3.42Å; C918-F922 PolarHBondContact O-N 2.81Å
919	H	96.8	Very high	96.5	Very high	10 Å²	10	21.2 Å²	21.2	5%	0.046	10%	0.095	C	C	.	.	H	α-helix	trans	-57.4	-45.4	175.3	-62.9	177.9	0	0	0	111	L800 P801 T806 E915 F916 A921 F922 F923	L800-H919 PolarHBondContact O-CD2 2.94Å; L800-H919 PolarHBondContact O-NE2 3.25Å; P801-H919 VanDerWaalsContact C-CD2 3.5Å; P801-H919 PolarHBondContact O-CD2 3.42Å; P801-H919 VanDerWaalsContact O-CD2 3.31Å; T806-H919 HydrophobicContact CG2-CB 4.04Å; E915-H919 PolarHBondContact O-CD2 3.27Å; E915-H919 PolarHBondContact O-N 3.46Å; E915-H919 IonicContact OE1-CE1 2.75Å; E915-H919 IonicContact OE1-NE2 2.77Å; F916-H919 AromaticContact CD1-CE1 3.84Å; F916-H919 AromaticContact CD1-ND1 3.66Å; F916-H919 PolarHBondContact O-N 3.45Å; H919-A921 VanDerWaalsContact C-N 3.35Å; H919-A921 PolarHBondContact O-N 2.99Å; H919-F922 PolarHBondContact O-N 2.96Å; H919-F923 VanDerWaalsContact O-CB 3.31Å; H919-F923 WeakPolarHBondContact O-CB 3.2Å; H919-F923 PolarHBondContact O-N 3.12Å
920	T	97.5	Very high	96.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-66	-37.7	-179.6	-47.6	0	0	0	0	112.1	F916 T917 C918 F923 T924 M980 Y981 L983	F916-T920 PolarHBondContact O-N 3.38Å; F916-T920 PolarHBondContact O-OG1 3.42Å; T917-T920 PolarHBondContact O-N 2.92Å; C918-T920 VanDerWaalsContact C-N 3.3Å; C918-T920 PolarHBondContact O-N 3.45Å; T920-F923 WeakPolarHBondContact O-CB 3.45Å; T920-T924 WeakPolarHBondContact O-CB 3.33Å; T920-T924 PolarHBondContact O-N 2.94Å; T920-T924 PolarHBondContact O-OG1 3.39Å; T920-M980 HydrophobicContact CG2-CB 4.14Å; T920-M980 HydrophobicContact CG2-CG 4.31Å; T920-M980 VanDerWaalsContact OG1-CA 3.31Å; T920-M980 WeakPolarHBondContact OG1-CA 3.37Å; T920-Y981 WeakPolarHBondContact CG2-O 3.29Å; T920-Y981 PolarHBondContact OG1-N 3.22Å; T920-L983 HydrophobicContact CG2-CD1 4.37Å; T920-L983 HydrophobicContact CG2-CD2 4.19Å; T920-L983 HydrophobicContact CG2-CG 4.18Å
921	A	97.2	Very high	97.1	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.008	5%	0.047	C	C	.	.	H	α-helix	trans	-75.2	-34.9	178.1	0	0	0	0	0	113	T868 I872 T917 C918 H919 T924 S925 L983	T868-A921 HydrophobicContact CG2-CB 3.74Å; I872-A921 HydrophobicContact CD1-CB 3.02Å; I872-A921 HydrophobicContact CG1-CB 4.5Å; T917-A921 WeakPolarHBondContact O-CB 3.34Å; T917-A921 PolarHBondContact O-N 2.95Å; C918-A921 PolarHBondContact O-N 3.14Å; H919-A921 VanDerWaalsContact C-N 3.35Å; H919-A921 PolarHBondContact O-N 2.99Å; A921-T924 PolarHBondContact O-N 3.32Å; A921-S925 WeakPolarHBondContact O-CB 3.49Å; A921-S925 PolarHBondContact O-N 3.19Å; A921-S925 PolarHBondContact O-OG 3.1Å; A921-L983 HydrophobicContact CB-CD1 4.28Å; A921-L983 HydrophobicContact CB-CD2 3.73Å
922	F	98.1	Very high	97.2	Very high	0 Å²	0	10.2 Å²	10.2	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.4	-47.6	172.4	-159.6	-61.1	0	0	0	109.5	P785 P789 P801 L802 G865 F866 C918 H919 T924 S925 I926	P785-F922 HydrophobicContact CB-CE1 4.15Å; P785-F922 WeakPolarHBondContact O-CE1 3.29Å; P789-F922 HydrophobicContact CG-CE1 4.04Å; P789-F922 HydrophobicContact CG-CE2 4.02Å; P789-F922 HydrophobicContact CG-CZ 3.62Å; P801-F922 HydrophobicContact CB-CD2 3.92Å; P801-F922 HydrophobicContact CB-CE2 3.97Å; L802-F922 HydrophobicContact CB-CD1 4.3Å; L802-F922 HydrophobicContact CB-CG 4.35Å; L802-F922 HydrophobicContact CD1-CB 3.99Å; L802-F922 HydrophobicContact CD1-CD1 3.97Å; L802-F922 HydrophobicContact CD1-CG 4.22Å; L802-F922 HydrophobicContact CD2-CD1 4.26Å; L802-F922 HydrophobicContact CD2-CE1 4.47Å; L802-F922 HydrophobicContact CG-CD1 4.41Å; G865-F922 VanDerWaalsContact C-CD2 3.44Å; G865-F922 VanDerWaalsContact O-CD2 3.31Å; G865-F922 WeakPolarHBondContact O-CD2 3.45Å; F866-F922 HydrophobicContact CD1-CE2 4.29Å; F866-F922 HydrophobicContact CD2-CE2 4.41Å; F866-F922 HydrophobicContact CD2-CZ 4.44Å; F866-F922 HydrophobicContact CE1-CE2 4.45Å; F866-F922 HydrophobicContact CE2-CZ 4.42Å; F866-F922 HydrophobicContact CG-CE2 4.25Å; C918-F922 VanDerWaalsContact O-CB 3.32Å; C918-F922 WeakPolarHBondContact O-CB 3.42Å; C918-F922 PolarHBondContact O-N 2.81Å; H919-F922 PolarHBondContact O-N 2.96Å; F922-T924 VanDerWaalsContact C-N 3.34Å; F922-T924 PolarHBondContact O-N 2.73Å; F922-S925 WeakPolarHBondContact O-CA 3.36Å; F922-S925 VanDerWaalsContact O-CB 3.28Å; F922-S925 WeakPolarHBondContact O-CB 3.3Å; F922-S925 PolarHBondContact O-N 3.16Å; F922-I926 HydrophobicContact CD1-CD1 3.86Å; F922-I926 HydrophobicContact CD1-CG1 4.14Å; F922-I926 HydrophobicContact CE1-CD1 3.94Å; F922-I926 HydrophobicContact CE1-CG1 4.2Å; F922-I926 PolarHBondContact O-N 3.13Å
923	F	97.8	Very high	97.4	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-51.3	-50.3	170.5	163	-98	0	0	0	112.2	L802 C809 I810 T814 H919 T920 S925 I926 V927 A965 L968 M980	L802-F923 HydrophobicContact CD1-CB 4.39Å; C809-F923 HydrophobicContact CB-CD2 4.39Å; C809-F923 HydrophobicContact CB-CE2 3.85Å; C809-F923 HydrophobicContact CB-CZ 4.46Å; I810-F923 HydrophobicContact CD1-CD2 3.97Å; I810-F923 HydrophobicContact CG1-CD2 3.47Å; I810-F923 VanDerWaalsContact CG1-CD2 3.47Å; I810-F923 HydrophobicContact CG1-CE2 3.65Å; T814-F923 HydrophobicContact CG2-CE2 4.1Å; T814-F923 HydrophobicContact CG2-CZ 3.68Å; H919-F923 VanDerWaalsContact O-CB 3.31Å; H919-F923 WeakPolarHBondContact O-CB 3.2Å; H919-F923 PolarHBondContact O-N 3.12Å; T920-F923 WeakPolarHBondContact O-CB 3.45Å; F923-S925 VanDerWaalsContact C-N 3.27Å; F923-S925 PolarHBondContact O-N 3.48Å; F923-I926 WeakPolarHBondContact O-CB 3.49Å; F923-I926 PolarHBondContact O-N 3.11Å; F923-I926 VanDerWaalsContact O-N 3.15Å; F923-V927 HydrophobicContact CE2-CG2 4.47Å; F923-V927 HydrophobicContact CZ-CG2 4.26Å; F923-V927 PolarHBondContact O-N 3.34Å; F923-V927 VanDerWaalsContact O-N 3.16Å; F923-A965 HydrophobicContact CE1-CB 3.84Å; F923-A965 HydrophobicContact CZ-CB 4.18Å; F923-L968 HydrophobicContact CZ-CD1 4.04Å; F923-M980 HydrophobicContact CD1-CE 3.85Å; F923-M980 HydrophobicContact CD1-SD 4.45Å; F923-M980 HydrophobicContact CD2-CE 3.98Å; F923-M980 HydrophobicContact CE1-CE 3.99Å; F923-M980 HydrophobicContact CE1-SD 4.41Å; F923-M980 HydrophobicContact CE2-CE 4.14Å; F923-M980 HydrophobicContact CG-CE 3.85Å; F923-M980 HydrophobicContact CZ-CE 4.14Å
924	T	97.4	Very high	97.5	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.006	3%	0.03	C	C	.	.	H	α-helix	trans	-64.7	-33.9	178.3	-57.2	0	0	0	0	112	T920 A921 F922 I926 V927 I928 L983 W988	T920-T924 WeakPolarHBondContact O-CB 3.33Å; T920-T924 PolarHBondContact O-N 2.94Å; T920-T924 PolarHBondContact O-OG1 3.39Å; A921-T924 PolarHBondContact O-N 3.32Å; F922-T924 VanDerWaalsContact C-N 3.34Å; F922-T924 PolarHBondContact O-N 2.73Å; T924-I926 VanDerWaalsContact C-N 3.32Å; T924-I926 PolarHBondContact O-N 2.87Å; T924-V927 PolarHBondContact O-N 2.97Å; T924-I928 HydrophobicContact CG2-CD1 4.02Å; T924-I928 WeakPolarHBondContact O-CD1 3.32Å; T924-I928 WeakPolarHBondContact O-CG1 3.15Å; T924-I928 PolarHBondContact O-N 3.31Å; T924-L983 HydrophobicContact CG2-CD1 4.1Å; T924-L983 VanDerWaalsContact OG1-CD1 3.23Å; T924-L983 WeakPolarHBondContact OG1-CD1 3.41Å; T924-W988 HydrophobicContact CG2-CD2 3.63Å; T924-W988 HydrophobicContact CG2-CE3 3.41Å; T924-W988 VanDerWaalsContact CG2-CE3 3.41Å; T924-W988 HydrophobicContact CG2-CG 4.39Å; T924-W988 HydrophobicContact CG2-CH2 3.74Å; T924-W988 HydrophobicContact CG2-CZ2 3.94Å; T924-W988 HydrophobicContact CG2-CZ3 3.48Å; T924-W988 VanDerWaalsContact CG2-CZ3 3.48Å
925	S	98	Very high	97.6	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.007	4%	0.036	C	C	.	.	H	α-helix	trans	-63.5	-39.5	175.1	-60.1	0	0	0	0	111.5	T868 A921 F922 F923 I928 V929	T868-S925 VanDerWaalsContact CB-OG 3.23Å; T868-S925 WeakPolarHBondContact CB-OG 3.2Å; T868-S925 WeakPolarHBondContact CG2-OG 3.01Å; T868-S925 PolarHBondContact OG1-OG 2.99Å; A921-S925 WeakPolarHBondContact O-CB 3.49Å; A921-S925 PolarHBondContact O-N 3.19Å; A921-S925 PolarHBondContact O-OG 3.1Å; F922-S925 WeakPolarHBondContact O-CA 3.36Å; F922-S925 VanDerWaalsContact O-CB 3.28Å; F922-S925 WeakPolarHBondContact O-CB 3.3Å; F922-S925 PolarHBondContact O-N 3.16Å; F923-S925 VanDerWaalsContact C-N 3.27Å; F923-S925 PolarHBondContact O-N 3.48Å; S925-I928 PolarHBondContact O-N 3.26Å; S925-V929 WeakPolarHBondContact O-CG2 3.29Å; S925-V929 PolarHBondContact O-N 2.79Å; S925-V929 VanDerWaalsContact O-N 3.13Å
926	I	97.9	Very high	97.7	Very high	1 Å²	1	7.3 Å²	7.3	1%	0.005	4%	0.035	C	C	.	.	H	α-helix	trans	-60.5	-50.1	174.1	-65.1	170.3	0	0	0	109.8	P785 E786 L802 I810 F922 F923 T924 I928 V929 Q930	P785-I926 HydrophobicContact CB-CD1 3.99Å; P785-I926 HydrophobicContact CB-CG1 3.92Å; P785-I926 HydrophobicContact CG-CD1 4.29Å; P785-I926 HydrophobicContact CG-CG1 4.17Å; E786-I926 HydrophobicContact CG-CD1 4.22Å; L802-I926 HydrophobicContact CD2-CD1 4.06Å; I810-I926 HydrophobicContact CD1-CB 4.2Å; I810-I926 HydrophobicContact CD1-CD1 3.44Å; I810-I926 VanDerWaalsContact CD1-CD1 3.44Å; I810-I926 HydrophobicContact CD1-CG1 4.41Å; I810-I926 HydrophobicContact CD1-CG2 4.07Å; I810-I926 HydrophobicContact CG2-CG2 4.32Å; F922-I926 HydrophobicContact CD1-CD1 3.86Å; F922-I926 HydrophobicContact CD1-CG1 4.14Å; F922-I926 HydrophobicContact CE1-CD1 3.94Å; F922-I926 HydrophobicContact CE1-CG1 4.2Å; F922-I926 PolarHBondContact O-N 3.13Å; F923-I926 WeakPolarHBondContact O-CB 3.49Å; F923-I926 PolarHBondContact O-N 3.11Å; F923-I926 VanDerWaalsContact O-N 3.15Å; T924-I926 VanDerWaalsContact C-N 3.32Å; T924-I926 PolarHBondContact O-N 2.87Å; I926-I928 VanDerWaalsContact C-N 3.3Å; I926-I928 PolarHBondContact O-N 3.01Å; I926-V929 WeakPolarHBondContact O-CG2 3.09Å; I926-V929 PolarHBondContact O-N 3.06Å; I926-V929 VanDerWaalsContact O-N 3.16Å; I926-Q930 HydrophobicContact CG2-CG 3.93Å; I926-Q930 WeakPolarHBondContact O-CB 3.49Å; I926-Q930 VanDerWaalsContact O-CG 3.26Å; I926-Q930 WeakPolarHBondContact O-CG 3.19Å; I926-Q930 PolarHBondContact O-N 2.83Å
927	V	98.1	Very high	97.8	Very high	1 Å²	1	6 Å²	6	1%	0.006	3%	0.03	C	C	.	.	H	α-helix	trans	-54.7	-44	177	172.4	0	0	0	0	112.1	T814 F923 T924 V929 Q930 W931 E961 A965	T814-V927 HydrophobicContact CG2-CG2 4.09Å; F923-V927 HydrophobicContact CE2-CG2 4.47Å; F923-V927 HydrophobicContact CZ-CG2 4.26Å; F923-V927 PolarHBondContact O-N 3.34Å; F923-V927 VanDerWaalsContact O-N 3.16Å; T924-V927 PolarHBondContact O-N 2.97Å; V927-V929 PolarHBondContact O-N 3.22Å; V927-Q930 PolarHBondContact O-N 3.44Å; V927-W931 PolarHBondContact O-N 3.36Å; V927-W931 VanDerWaalsContact O-N 3.14Å; V927-W931 PolarHBondContact O-NE1 2.93Å; V927-E961 HydrophobicContact CG1-CG 3.99Å; V927-A965 HydrophobicContact CG1-CB 4.2Å; V927-A965 HydrophobicContact CG2-CB 4.06Å
928	I	98.1	Very high	97.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-65.9	-39.3	-179.3	-68.2	156.4	0	0	0	112.5	T924 S925 I926 W931 W988 A991 F992 S995	T924-I928 HydrophobicContact CG2-CD1 4.02Å; T924-I928 WeakPolarHBondContact O-CD1 3.32Å; T924-I928 WeakPolarHBondContact O-CG1 3.15Å; T924-I928 PolarHBondContact O-N 3.31Å; S925-I928 PolarHBondContact O-N 3.26Å; I926-I928 VanDerWaalsContact C-N 3.3Å; I926-I928 PolarHBondContact O-N 3.01Å; I928-W931 HydrophobicContact CG1-CH2 4.05Å; I928-W931 HydrophobicContact CG1-CZ2 4.25Å; I928-W931 HydrophobicContact CG1-CZ3 4.29Å; I928-W931 HydrophobicContact CG2-CE3 4.36Å; I928-W931 HydrophobicContact CG2-CZ3 4.35Å; I928-W931 WeakPolarHBondContact O-CB 3.45Å; I928-W988 HydrophobicContact CD1-CE3 4.41Å; I928-W988 WeakPolarHBondContact CD1-O 3.44Å; I928-A991 HydrophobicContact CB-CB 4.08Å; I928-A991 HydrophobicContact CD1-CB 4.16Å; I928-A991 HydrophobicContact CG2-CB 4Å; I928-F992 HydrophobicContact CD1-CD2 4.43Å; I928-F992 HydrophobicContact CD1-CE2 4.43Å; I928-F992 HydrophobicContact CG1-CE2 4.41Å; I928-F992 HydrophobicContact CG2-CD2 3.74Å; I928-F992 HydrophobicContact CG2-CE2 4.08Å; I928-F992 HydrophobicContact CG2-CG 4.28Å; I928-S995 WeakPolarHBondContact O-CB 3.39Å; I928-S995 PolarHBondContact O-OG 3.25Å
929	V	98.4	Very high	97.8	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-77.5	-27.6	176.7	-62.2	0	0	0	0	111.9	Q861 A864 S925 I926 V927 W931 A932 D933 A991 I998	Q861-V929 HydrophobicContact CB-CB 4.48Å; Q861-V929 HydrophobicContact CB-CG2 3.67Å; Q861-V929 HydrophobicContact CG-CB 3.93Å; Q861-V929 HydrophobicContact CG-CG2 3.43Å; Q861-V929 VanDerWaalsContact CG-CG2 3.43Å; A864-V929 HydrophobicContact CB-CG1 3.75Å; S925-V929 WeakPolarHBondContact O-CG2 3.29Å; S925-V929 PolarHBondContact O-N 2.79Å; S925-V929 VanDerWaalsContact O-N 3.13Å; I926-V929 WeakPolarHBondContact O-CG2 3.09Å; I926-V929 PolarHBondContact O-N 3.06Å; I926-V929 VanDerWaalsContact O-N 3.16Å; V927-V929 PolarHBondContact O-N 3.22Å; V929-W931 PolarHBondContact O-N 2.91Å; V929-A932 PolarHBondContact O-N 2.87Å; V929-D933 PolarHBondContact O-N 3.03Å; V929-A991 HydrophobicContact CG1-CB 4.36Å; V929-I998 HydrophobicContact CB-CD1 3.88Å; V929-I998 HydrophobicContact CG1-CD1 4.2Å
930	Q	98.3	Very high	97.8	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-64.6	-27	171.3	-75.9	-64.3	82	0	0	112.1	Y778 D815 I926 V927 A932 D933 L934	Y778-Q930 HydrophobicContact CE2-CB 4.24Å; Y778-Q930 VanDerWaalsContact CE2-NE2 3.34Å; Y778-Q930 PolarHBondContact OH-NE2 3.37Å; D815-Q930 PolarHBondContact OD1-NE2 3.14Å; D815-Q930 PolarHBondContact OD2-NE2 3.24Å; I926-Q930 HydrophobicContact CG2-CG 3.93Å; I926-Q930 WeakPolarHBondContact O-CB 3.49Å; I926-Q930 VanDerWaalsContact O-CG 3.26Å; I926-Q930 WeakPolarHBondContact O-CG 3.19Å; I926-Q930 PolarHBondContact O-N 2.83Å; V927-Q930 PolarHBondContact O-N 3.44Å; Q930-A932 PolarHBondContact O-N 3.26Å; Q930-D933 PolarHBondContact O-N 2.95Å; Q930-L934 VanDerWaalsContact O-CB 3.32Å; Q930-L934 WeakPolarHBondContact O-CB 3.48Å; Q930-L934 PolarHBondContact O-N 2.9Å
931	W	98.2	Very high	97.7	Very high	49 Å²	49	8.9 Å²	8.9	19%	0.186	4%	0.038	C	C	.	.	H	α-helix	trans	-58.9	-46.5	170.4	-59.7	-14.3	0	0	0	112.7	V927 I928 V929 I935 L958 T962 F992	V927-W931 PolarHBondContact O-N 3.36Å; V927-W931 VanDerWaalsContact O-N 3.14Å; V927-W931 PolarHBondContact O-NE1 2.93Å; I928-W931 HydrophobicContact CG1-CH2 4.05Å; I928-W931 HydrophobicContact CG1-CZ2 4.25Å; I928-W931 HydrophobicContact CG1-CZ3 4.29Å; I928-W931 HydrophobicContact CG2-CE3 4.36Å; I928-W931 HydrophobicContact CG2-CZ3 4.35Å; I928-W931 WeakPolarHBondContact O-CB 3.45Å; V929-W931 PolarHBondContact O-N 2.91Å; W931-I935 WeakPolarHBondContact O-CD1 3.35Å; W931-I935 WeakPolarHBondContact O-CG1 3.49Å; W931-I935 PolarHBondContact O-N 3.01Å; W931-L958 HydrophobicContact CB-CD2 4Å; W931-L958 HydrophobicContact CG-CD2 4.04Å; W931-T962 VanDerWaalsContact CE2-OG1 3.28Å; W931-T962 HydrophobicContact CH2-CG2 4.34Å; W931-T962 HydrophobicContact CZ2-CG2 3.66Å; W931-T962 WeakPolarHBondContact CZ2-OG1 3.13Å; W931-T962 PolarHBondContact NE1-OG1 2.97Å; W931-T962 VanDerWaalsContact NE1-OG1 3.13Å; W931-F992 HydrophobicContact CH2-CE2 4.36Å; W931-F992 HydrophobicContact CH2-CZ 4.21Å; W931-F992 HydrophobicContact CZ3-CE1 4.25Å; W931-F992 AromaticContact CZ3-CE2 3.93Å; W931-F992 HydrophobicContact CZ3-CE2 3.93Å; W931-F992 AromaticContact CZ3-CZ 3.56Å; W931-F992 HydrophobicContact CZ3-CZ 3.56Å
932	A	98.1	Very high	97.7	Very high	6 Å²	6	10.2 Å²	10.2	5%	0.05	5%	0.045	C	C	.	.	H	α-helix	trans	-68	-41.3	175.6	0	0	0	0	0	110.3	V929 Q930 L934 I935 I936 S995 I998 F999	V929-A932 PolarHBondContact O-N 2.87Å; Q930-A932 PolarHBondContact O-N 3.26Å; A932-L934 PolarHBondContact O-N 2.77Å; A932-I935 PolarHBondContact O-N 3.19Å; A932-I936 WeakPolarHBondContact O-CG1 3.32Å; A932-I936 WeakPolarHBondContact O-CG2 3.39Å; A932-I936 PolarHBondContact O-N 3.47Å; A932-S995 WeakPolarHBondContact CB-O 3.42Å; A932-S995 VanDerWaalsContact CB-OG 3.3Å; A932-S995 WeakPolarHBondContact CB-OG 3.18Å; A932-I998 HydrophobicContact CB-CB 4.19Å; A932-I998 HydrophobicContact CB-CG2 3.96Å; A932-F999 HydrophobicContact CB-CB 4.24Å
933	D	98.4	Very high	97.6	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-59	-47.1	178.6	-164.4	57.7	0	0	0	112.4	Y778 I857 V929 Q930 I935 I936 C937	Y778-D933 WeakPolarHBondContact CA-OD2 3.28Å; Y778-D933 HydrophobicContact CD2-CB 4.28Å; Y778-D933 WeakPolarHBondContact CD2-OD2 3.39Å; Y778-D933 HydrophobicContact CE2-CB 4.37Å; I857-D933 WeakPolarHBondContact CG2-OD1 3.28Å; V929-D933 PolarHBondContact O-N 3.03Å; Q930-D933 PolarHBondContact O-N 2.95Å; D933-I935 VanDerWaalsContact C-N 3.27Å; D933-I935 PolarHBondContact O-N 3.21Å; D933-I936 WeakPolarHBondContact O-CG1 3.39Å; D933-I936 PolarHBondContact O-N 3.18Å; D933-I936 VanDerWaalsContact O-N 3.13Å; D933-C937 VanDerWaalsContact O-CB 3.24Å; D933-C937 WeakPolarHBondContact O-CB 3.4Å; D933-C937 PolarHBondContact O-N 3.49Å; D933-C937 PolarHBondContact O-SG 3.49Å
934	L	98.3	Very high	97.5	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-57.8	-42	176.3	-175	62.9	0	0	0	111.6	Y778 P818 L822 Q930 A932 K938 L954 L958	Y778-L934 HydrophobicContact CD2-CB 4.1Å; Y778-L934 HydrophobicContact CD2-CD1 4.13Å; Y778-L934 HydrophobicContact CE2-CB 3.65Å; Y778-L934 HydrophobicContact CE2-CD1 4.04Å; Y778-L934 HydrophobicContact CE2-CG 4.41Å; P818-L934 HydrophobicContact CB-CD1 3.88Å; P818-L934 HydrophobicContact CB-CD2 3.85Å; P818-L934 HydrophobicContact CB-CG 4.41Å; L822-L934 HydrophobicContact CD1-CD1 3.9Å; L822-L934 HydrophobicContact CD2-CD1 4.02Å; L822-L934 HydrophobicContact CG-CD1 3.81Å; Q930-L934 VanDerWaalsContact O-CB 3.32Å; Q930-L934 WeakPolarHBondContact O-CB 3.48Å; Q930-L934 PolarHBondContact O-N 2.9Å; A932-L934 PolarHBondContact O-N 2.77Å; L934-K938 PolarHBondContact O-N 3.44Å; L934-K938 VanDerWaalsContact O-N 3.11Å; L934-L954 HydrophobicContact CD1-CD1 4.23Å; L934-L954 HydrophobicContact CD1-CG 4.25Å; L934-L954 HydrophobicContact CD2-CD2 3.82Å; L934-L954 HydrophobicContact CD2-CG 3.75Å; L934-L954 HydrophobicContact CG-CD1 4.1Å; L934-L954 HydrophobicContact CG-CD2 4.08Å; L934-L954 HydrophobicContact CG-CG 3.89Å; L934-L958 HydrophobicContact CB-CD2 4.43Å; L934-L958 HydrophobicContact CD2-CD1 4.45Å; L934-L958 HydrophobicContact CD2-CD2 3.5Å; L934-L958 HydrophobicContact CD2-CG 3.69Å
935	I	97.9	Very high	97.4	Very high	34 Å²	34	18 Å²	18	17%	0.174	9%	0.092	C	C	.	.	H	α-helix	trans	-68.5	-37.8	179.2	-70	169	0	0	0	111.5	W931 A932 D933 K938 I944 M949 F999	W931-I935 WeakPolarHBondContact O-CD1 3.35Å; W931-I935 WeakPolarHBondContact O-CG1 3.49Å; W931-I935 PolarHBondContact O-N 3.01Å; A932-I935 PolarHBondContact O-N 3.19Å; D933-I935 VanDerWaalsContact C-N 3.27Å; D933-I935 PolarHBondContact O-N 3.21Å; I935-K938 VanDerWaalsContact O-CB 3.22Å; I935-K938 WeakPolarHBondContact O-CB 3.25Å; I935-I944 HydrophobicContact CG2-CD1 3.33Å; I935-I944 HydrophobicContact CG2-CG1 4.34Å; I935-M949 HydrophobicContact CG1-CE 4.1Å; I935-F999 HydrophobicContact CG2-CD2 3.98Å; I935-F999 HydrophobicContact CG2-CE2 3.87Å
936	I	97.6	Very high	97.1	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	12%	0.119	C	C	.	.	H	α-helix	trans	-77.8	-42	178.7	64	164.3	0	0	0	111.1	I857 A932 D933 K938 T939 I998 F999 D1002 R1006	I857-I936 HydrophobicContact CD1-CD1 3.95Å; I857-I936 HydrophobicContact CG1-CD1 4.09Å; I857-I936 HydrophobicContact CG2-CD1 4.3Å; A932-I936 WeakPolarHBondContact O-CG1 3.32Å; A932-I936 WeakPolarHBondContact O-CG2 3.39Å; A932-I936 PolarHBondContact O-N 3.47Å; D933-I936 WeakPolarHBondContact O-CG1 3.39Å; D933-I936 PolarHBondContact O-N 3.18Å; D933-I936 VanDerWaalsContact O-N 3.13Å; I936-K938 PolarHBondContact O-N 2.92Å; I936-K938 VanDerWaalsContact O-N 3.15Å; I936-T939 PolarHBondContact O-N 3.49Å; I936-T939 VanDerWaalsContact O-N 3.17Å; I936-I998 HydrophobicContact CD1-CG2 3.67Å; I936-I998 HydrophobicContact CG1-CG2 4.47Å; I936-F999 HydrophobicContact CG2-CD2 4.29Å; I936-D1002 HydrophobicContact CB-CB 3.81Å; I936-D1002 HydrophobicContact CD1-CB 3.71Å; I936-D1002 HydrophobicContact CG1-CB 4.35Å; I936-D1002 HydrophobicContact CG2-CB 3.74Å; I936-R1006 PolarHBondContact O-NH1 3.05Å
937	C	97.9	Very high	96.9	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.02	13%	0.125	C	C	.	.	H	α-helix	trans	-63.2	-21.1	176.1	-76.1	0	0	0	0	112.5	K774 L822 D933 T939	K774-C937 VanDerWaalsContact CB-O 3.29Å; K774-C937 WeakPolarHBondContact CB-O 3.2Å; K774-C937 VanDerWaalsContact CD-O 3.27Å; K774-C937 WeakPolarHBondContact CD-O 3.46Å; K774-C937 WeakPolarHBondContact CG-O 3.28Å; L822-C937 HydrophobicContact CD1-CB 4.41Å; D933-C937 VanDerWaalsContact O-CB 3.24Å; D933-C937 WeakPolarHBondContact O-CB 3.4Å; D933-C937 PolarHBondContact O-N 3.49Å; D933-C937 PolarHBondContact O-SG 3.49Å; C937-T939 PolarHBondContact O-N 3.11Å
938	K	97.4	Very high	96.8	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.017	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-37.5	170.9	-172.6	176.1	164.9	28.1	0	113.9	K774 E825 L934 I935 I936 G948 M949 L954	K774-K938 WeakPolarHBondContact CE-O 3.27Å; K774-K938 PolarHBondContact NZ-O 3.32Å; E825-K938 VanDerWaalsContact CD-CG 3.48Å; E825-K938 HydrophobicContact CG-CG 4.24Å; E825-K938 WeakPolarHBondContact OE1-CG 3.4Å; E825-K938 IonicContact OE1-NZ 3.53Å; E825-K938 PolarHBondContact OE1-NZ 2.99Å; E825-K938 IonicContact OE2-NZ 3.65Å; E825-K938 PolarHBondContact OE2-NZ 3.49Å; L934-K938 PolarHBondContact O-N 3.44Å; L934-K938 VanDerWaalsContact O-N 3.11Å; I935-K938 VanDerWaalsContact O-CB 3.22Å; I935-K938 WeakPolarHBondContact O-CB 3.25Å; I936-K938 PolarHBondContact O-N 2.92Å; I936-K938 VanDerWaalsContact O-N 3.15Å; K938-G948 WeakPolarHBondContact CE-O 3.4Å; K938-G948 PolarHBondContact NZ-O 3.44Å; K938-M949 HydrophobicContact CD-SD 3.78Å; K938-L954 HydrophobicContact CB-CD1 4.46Å; K938-L954 HydrophobicContact CD-CD1 4.21Å; K938-L954 HydrophobicContact CG-CD1 4.27Å
939	T	97.3	Very high	96.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.			trans	-134.2	126.1	-176.8	41.3	0	0	0	0	111.9	E828 I936 C937 N942 Q947 R1006	E828-T939 HydrophobicContact CG-CG2 4.18Å; E828-T939 WeakPolarHBondContact OE1-CA 3.32Å; I936-T939 PolarHBondContact O-N 3.49Å; I936-T939 VanDerWaalsContact O-N 3.17Å; C937-T939 PolarHBondContact O-N 3.11Å; T939-N942 WeakPolarHBondContact CB-O 3.43Å; T939-N942 HydrophobicContact CG2-CB 4.14Å; T939-N942 PolarHBondContact OG1-O 2.9Å; T939-Q947 HydrophobicContact CG2-CB 3.67Å; T939-Q947 HydrophobicContact CG2-CG 3.65Å; T939-R1006 WeakPolarHBondContact O-CD 3.47Å; T939-R1006 PolarHBondContact O-NH1 2.84Å; T939-R1006 PolarHBondContact OG1-NH1 2.71Å
940	R	96.7	Very high	96.5	Very high	16 Å²	16	37.8 Å²	37.8	6%	0.06	19%	0.188	C	C	.	.	S	Bend	trans	-83.3	-32.2	179.6	-72.3	164.3	56.4	-144.2	2.3	112.4	D770 K774 E828 Y1022 Y1023	D770-R940 VanDerWaalsContact CG-NH1 3.29Å; D770-R940 IonicContact OD1-CZ 2.78Å; D770-R940 IonicContact OD1-NH1 3.79Å; D770-R940 PolarHBondContact OD1-NH1 3.3Å; K774-R940 HydrophobicContact CG-CG 4.1Å; E828-R940 PolarHBondContact OE1-N 3.06Å; E828-R940 PolarHBondContact OE2-N 3.48Å; E828-R940 VanDerWaalsContact OE2-N 3.11Å; R940-Y1022 HydrophobicContact CB-CE2 3.96Å; R940-Y1023 HydrophobicContact CG-CD2 4.35Å; R940-Y1023 HydrophobicContact CG-CE2 3.8Å; R940-Y1023 PolarHBondContact NE-O 2.88Å; R940-Y1023 VanDerWaalsContact NH2-C 3.3Å; R940-Y1023 PolarHBondContact NH2-O 3.3Å; R940-Y1023 PolarHBondContact NH2-OXT 3.35Å
941	R	95.5	Very high	96.4	Very high	64 Å²	64	38.6 Å²	38.6	24%	0.242	19%	0.192	C	C	.	.	S	Bend	trans	-123.8	-43.5	-177	179.6	168.7	-168.3	107.5	5.8	113.1	E828 L1009 R1010 E1018 Y1022	E828-R941 PolarHBondContact OE2-N 3.38Å; R941-L1009 HydrophobicContact CG-CD2 3.94Å; R941-L1009 VanDerWaalsContact CZ-CD2 3.48Å; R941-R1010 HydrophobicContact CG-CG 4.18Å; R941-R1010 WeakPolarHBondContact O-CD 3.39Å; R941-R1010 PolarHBondContact O-NH1 3.22Å; R941-E1018 IonicContact NH1-OE1 3.93Å; R941-E1018 PolarHBondContact NH1-OE1 3.14Å; R941-Y1022 HydrophobicContact CB-CE2 3.94Å
942	N	96.5	Very high	96.3	Very high	29 Å²	29	46.5 Å²	46.5	16%	0.155	22%	0.222	C	C	.	.	S	Bend	trans	-72.1	159.2	-174.6	-74.5	-5.3	0	0	0	112.2	E828 T939 Q947 R1006	E828-N942 HydrophobicContact CG-CB 4.49Å; E828-N942 PolarHBondContact O-ND2 3.28Å; E828-N942 PolarHBondContact OE2-N 3.22Å; T939-N942 WeakPolarHBondContact CB-O 3.43Å; T939-N942 HydrophobicContact CG2-CB 4.14Å; T939-N942 PolarHBondContact OG1-O 2.9Å; N942-Q947 PolarHBondContact ND2-OE1 3.35Å; N942-Q947 VanDerWaalsContact ND2-OE1 3.15Å; N942-R1006 WeakPolarHBondContact O-CD 3.47Å
943	S	96.8	Very high	96.3	Very high	11 Å²	11	49.4 Å²	49.4	8%	0.077	24%	0.236	C	C	.	.			trans	-75.4	150.1	167.7	179.6	0	0	0	0	109.9	V945 Q946 Q947 E1003	S943-V945 PolarHBondContact O-N 3.01Å; S943-V945 PolarHBondContact OG-N 3.47Å; S943-V945 VanDerWaalsContact OG-N 3.11Å; S943-Q946 VanDerWaalsContact N-OE1 3.07Å; S943-Q946 PolarHBondContact O-N 3.38Å; S943-Q947 PolarHBondContact O-N 2.91Å; S943-E1003 VanDerWaalsContact CA-OE1 3.27Å; S943-E1003 WeakPolarHBondContact CA-OE1 3.48Å; S943-E1003 WeakPolarHBondContact CB-OE1 3.13Å; S943-E1003 PolarHBondContact OG-OE1 3.45Å
944	I	95.3	Very high	96.2	Very high	27 Å²	27	49.4 Å²	49.4	14%	0.138	24%	0.236	C	C	.	.	H	α-helix	trans	-57.2	-32	166.7	-164.8	-175.3	0	0	0	112.1	I935 Q946 G948 M949 F999 E1003	I935-I944 HydrophobicContact CG2-CD1 3.33Å; I935-I944 HydrophobicContact CG2-CG1 4.34Å; I944-Q946 VanDerWaalsContact C-N 3.31Å; I944-Q946 PolarHBondContact O-N 3.38Å; I944-G948 VanDerWaalsContact O-CA 3.24Å; I944-G948 WeakPolarHBondContact O-CA 3.24Å; I944-G948 PolarHBondContact O-N 2.92Å; I944-M949 HydrophobicContact CD1-CG 3.95Å; I944-M949 HydrophobicContact CD1-SD 3.93Å; I944-M949 HydrophobicContact CG1-CG 4.29Å; I944-M949 HydrophobicContact CG1-SD 4.28Å; I944-F999 HydrophobicContact CD1-CE2 4.16Å; I944-F999 HydrophobicContact CG2-CE2 4.07Å; I944-F999 HydrophobicContact CG2-CZ 3.98Å; I944-E1003 PolarHBondContact N-OE2 3.31Å
945	V	94	Very high	96.2	Very high	126 Å²	126	52.2 Å²	52.2	76%	0.764	25%	0.25	S	S	*	.	H	α-helix	trans	-70	-31.9	179	-177	0	0	0	0	111.1	S943	S943-V945 PolarHBondContact O-N 3.01Å; S943-V945 PolarHBondContact OG-N 3.47Å; S943-V945 VanDerWaalsContact OG-N 3.11Å
946	Q	92.6	Very high	96.2	Very high	122 Å²	122	56.4 Å²	56.4	57%	0.57	27%	0.267	S	S	*	.	H	α-helix	trans	-77	-46.1	177.2	-69.4	171	-29.1	0	0	111.4	S943 I944	S943-Q946 VanDerWaalsContact N-OE1 3.07Å; S943-Q946 PolarHBondContact O-N 3.38Å; I944-Q946 VanDerWaalsContact C-N 3.31Å; I944-Q946 PolarHBondContact O-N 3.38Å
947	Q	94.2	Very high	96.1	Very high	32 Å²	32	56.2 Å²	56.2	15%	0.15	27%	0.266	C	S	.	.	H	α-helix	trans	-78.4	-38.5	-176.9	-162.1	71.2	9.3	0	0	112.4	A827 T939 N942 S943	A827-Q947 PolarHBondContact O-NE2 3.43Å; T939-Q947 HydrophobicContact CG2-CB 3.67Å; T939-Q947 HydrophobicContact CG2-CG 3.65Å; N942-Q947 PolarHBondContact ND2-OE1 3.35Å; N942-Q947 VanDerWaalsContact ND2-OE1 3.15Å; S943-Q947 PolarHBondContact O-N 2.91Å
948	G	94.6	Very high	96.1	Very high	20 Å²	20	57.4 Å²	57.4	21%	0.206	27%	0.272	C	S	.	.			trans	74.3	159.7	-175.6	0	0	0	0	0	114.5	K938 I944 K950	K938-G948 WeakPolarHBondContact CE-O 3.4Å; K938-G948 PolarHBondContact NZ-O 3.44Å; I944-G948 VanDerWaalsContact O-CA 3.24Å; I944-G948 WeakPolarHBondContact O-CA 3.24Å; I944-G948 PolarHBondContact O-N 2.92Å; G948-K950 VanDerWaalsContact C-N 3.32Å; G948-K950 PolarHBondContact O-N 3.22Å; G948-K950 VanDerWaalsContact O-N 3.14Å
949	M	95.7	Very high	96.1	Very high	71 Å²	71	64.5 Å²	64.5	35%	0.35	30%	0.304	S	S	.	.	S	Bend	trans	-87.4	65.3	175.1	-69.8	-64.4	-77	0	0	111.3	I935 K938 I944 L954 I955 L958	I935-M949 HydrophobicContact CG1-CE 4.1Å; K938-M949 HydrophobicContact CD-SD 3.78Å; I944-M949 HydrophobicContact CD1-CG 3.95Å; I944-M949 HydrophobicContact CD1-SD 3.93Å; I944-M949 HydrophobicContact CG1-CG 4.29Å; I944-M949 HydrophobicContact CG1-SD 4.28Å; M949-L954 HydrophobicContact CE-CD2 3.66Å; M949-I955 HydrophobicContact CE-CG1 4.33Å; M949-I955 WeakPolarHBondContact O-CD1 3.22Å; M949-L958 HydrophobicContact CE-CD1 4.48Å
950	K	94.6	Very high	96.1	Very high	175 Å²	175	67.2 Å²	67.2	76%	0.761	32%	0.316	S	S	*	.			trans	-94	-17.1	-178.5	-65.1	176.1	-177.1	169.5	0	114.1	G948 R952	G948-K950 VanDerWaalsContact C-N 3.32Å; G948-K950 PolarHBondContact O-N 3.22Å; G948-K950 VanDerWaalsContact O-N 3.14Å; K950-R952 PolarHBondContact O-N 2.95Å; K950-R952 VanDerWaalsContact O-N 3.08Å
951	N	96.7	Very high	96.1	Very high	17 Å²	17	66.4 Å²	66.4	9%	0.091	31%	0.313	C	S	.	.			trans	-72.7	101.8	-179.6	-176.7	-11.3	0	0	0	109.9	S821 E825 I953 L954 I955	S821-N951 PolarHBondContact O-ND2 3.35Å; E825-N951 WeakPolarHBondContact OE1-CB 3.42Å; E825-N951 PolarHBondContact OE1-ND2 2.94Å; N951-I953 VanDerWaalsContact C-N 3.31Å; N951-I953 PolarHBondContact O-N 3.34Å; N951-I953 PolarHBondContact OD1-N 2.88Å; N951-I953 VanDerWaalsContact OD1-N 3.13Å; N951-L954 HydrophobicContact CB-CB 3.91Å; N951-L954 PolarHBondContact O-N 3.45Å; N951-L954 PolarHBondContact OD1-N 2.97Å; N951-L954 VanDerWaalsContact OD1-N 3.15Å; N951-I955 WeakPolarHBondContact O-CG1 3.48Å; N951-I955 PolarHBondContact O-N 2.91Å
952	R	96.8	Very high	96.2	Very high	214 Å²	214	65.2 Å²	65.2	81%	0.808	31%	0.313	S	S	*	.	H	α-helix	trans	-67.7	-31.1	-177.5	-64.2	-174.6	-179.5	-176	-0.3	112.9	K950 L954 F956	K950-R952 PolarHBondContact O-N 2.95Å; K950-R952 VanDerWaalsContact O-N 3.08Å; R952-L954 VanDerWaalsContact C-N 3.35Å; R952-F956 WeakPolarHBondContact O-CB 3.37Å; R952-F956 PolarHBondContact O-N 3.04Å
953	I	97	Very high	96.3	Very high	68 Å²	68	66.8 Å²	66.8	35%	0.349	33%	0.33	S	S	.	.	H	α-helix	trans	-70.4	-38.2	179.1	-51	-56.6	0	0	0	109.7	Y824 N951 F956 G957	Y824-I953 HydrophobicContact CD1-CG1 4.23Å; Y824-I953 HydrophobicContact CD2-CB 4.1Å; Y824-I953 HydrophobicContact CD2-CG1 4.02Å; Y824-I953 HydrophobicContact CD2-CG2 4.06Å; Y824-I953 HydrophobicContact CE1-CG1 4.38Å; Y824-I953 HydrophobicContact CE2-CB 4.45Å; Y824-I953 HydrophobicContact CE2-CG1 4.14Å; Y824-I953 HydrophobicContact CE2-CG2 4.09Å; Y824-I953 HydrophobicContact CG-CB 4.4Å; Y824-I953 HydrophobicContact CG-CG1 4.04Å; N951-I953 VanDerWaalsContact C-N 3.31Å; N951-I953 PolarHBondContact O-N 3.34Å; N951-I953 PolarHBondContact OD1-N 2.88Å; N951-I953 VanDerWaalsContact OD1-N 3.13Å; I953-F956 PolarHBondContact O-N 2.98Å; I953-G957 PolarHBondContact O-N 2.83Å
954	L	97.5	Very high	96.3	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-65.5	-45.4	175.6	-174.4	158.6	0	0	0	111.9	S821 L822 L934 K938 M949 N951 R952 F956 G957 L958	S821-L954 VanDerWaalsContact OG-CA 3.3Å; S821-L954 WeakPolarHBondContact OG-CA 3.46Å; S821-L954 WeakPolarHBondContact OG-CB 3.39Å; L822-L954 HydrophobicContact CD2-CD1 4.01Å; L934-L954 HydrophobicContact CD1-CD1 4.23Å; L934-L954 HydrophobicContact CD1-CG 4.25Å; L934-L954 HydrophobicContact CD2-CD2 3.82Å; L934-L954 HydrophobicContact CD2-CG 3.75Å; L934-L954 HydrophobicContact CG-CD1 4.1Å; L934-L954 HydrophobicContact CG-CD2 4.08Å; L934-L954 HydrophobicContact CG-CG 3.89Å; K938-L954 HydrophobicContact CB-CD1 4.46Å; K938-L954 HydrophobicContact CD-CD1 4.21Å; K938-L954 HydrophobicContact CG-CD1 4.27Å; M949-L954 HydrophobicContact CE-CD2 3.66Å; N951-L954 HydrophobicContact CB-CB 3.91Å; N951-L954 PolarHBondContact O-N 3.45Å; N951-L954 PolarHBondContact OD1-N 2.97Å; N951-L954 VanDerWaalsContact OD1-N 3.15Å; R952-L954 VanDerWaalsContact C-N 3.35Å; L954-F956 VanDerWaalsContact C-N 3.31Å; L954-F956 PolarHBondContact O-N 3Å; L954-G957 WeakPolarHBondContact O-CA 3.39Å; L954-G957 PolarHBondContact O-N 3.01Å; L954-G957 VanDerWaalsContact O-N 3.12Å; L954-L958 HydrophobicContact CD2-CD1 4.13Å; L954-L958 PolarHBondContact O-N 2.9Å
955	I	97.5	Very high	96.4	Very high	58 Å²	58	67 Å²	67	30%	0.297	33%	0.33	S	S	.	.	H	α-helix	trans	-60.9	-44.1	175.6	-64.7	166.1	0	0	0	110.5	M949 N951 G957 L958 F959	M949-I955 HydrophobicContact CE-CG1 4.33Å; M949-I955 WeakPolarHBondContact O-CD1 3.22Å; N951-I955 WeakPolarHBondContact O-CG1 3.48Å; N951-I955 PolarHBondContact O-N 2.91Å; I955-G957 VanDerWaalsContact C-N 3.3Å; I955-G957 PolarHBondContact O-N 2.9Å; I955-L958 PolarHBondContact O-N 2.96Å; I955-F959 HydrophobicContact CG2-CD2 4Å; I955-F959 HydrophobicContact CG2-CE2 3.78Å; I955-F959 VanDerWaalsContact O-CD2 3.24Å; I955-F959 WeakPolarHBondContact O-CD2 3.28Å; I955-F959 PolarHBondContact O-N 3.41Å
956	F	97.6	Very high	96.5	Very high	122 Å²	122	62.4 Å²	62.4	54%	0.535	31%	0.306	S	S	.	.	H	α-helix	trans	-59.2	-42.3	174.1	173.2	-98.3	0	0	0	111.8	V817 R952 I953 L954 L958 F959 E960	V817-F956 HydrophobicContact CG1-CD1 4.34Å; V817-F956 HydrophobicContact CG1-CE1 4.42Å; R952-F956 WeakPolarHBondContact O-CB 3.37Å; R952-F956 PolarHBondContact O-N 3.04Å; I953-F956 PolarHBondContact O-N 2.98Å; L954-F956 VanDerWaalsContact C-N 3.31Å; L954-F956 PolarHBondContact O-N 3Å; F956-L958 PolarHBondContact O-N 3.17Å; F956-F959 PolarHBondContact O-N 3.49Å; F956-E960 HydrophobicContact CE1-CB 4.15Å; F956-E960 HydrophobicContact CE1-CG 4.3Å; F956-E960 HydrophobicContact CZ-CB 4.17Å; F956-E960 HydrophobicContact CZ-CG 4.24Å; F956-E960 WeakPolarHBondContact O-CB 3.37Å; F956-E960 PolarHBondContact O-N 2.89Å
957	G	96.6	Very high	96.7	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-54.3	-48.6	174.9	0	0	0	0	0	112.6	I953 L954 I955 F959 E960 E961	I953-G957 PolarHBondContact O-N 2.83Å; L954-G957 WeakPolarHBondContact O-CA 3.39Å; L954-G957 PolarHBondContact O-N 3.01Å; L954-G957 VanDerWaalsContact O-N 3.12Å; I955-G957 VanDerWaalsContact C-N 3.3Å; I955-G957 PolarHBondContact O-N 2.9Å; G957-F959 VanDerWaalsContact C-N 3.33Å; G957-F959 PolarHBondContact O-N 2.87Å; G957-E960 PolarHBondContact O-N 2.72Å; G957-E961 WeakPolarHBondContact O-CB 3.45Å; G957-E961 PolarHBondContact O-N 3.49Å
958	L	96.8	Very high	96.8	Very high	28 Å²	28	61.6 Å²	61.6	15%	0.147	30%	0.301	C	S	.	.	H	α-helix	trans	-57.9	-42.5	177	-69.8	169.6	0	0	0	113.1	W931 L934 M949 L954 I955 F956 T962	W931-L958 HydrophobicContact CB-CD2 4Å; W931-L958 HydrophobicContact CG-CD2 4.04Å; L934-L958 HydrophobicContact CB-CD2 4.43Å; L934-L958 HydrophobicContact CD2-CD1 4.45Å; L934-L958 HydrophobicContact CD2-CD2 3.5Å; L934-L958 HydrophobicContact CD2-CG 3.69Å; M949-L958 HydrophobicContact CE-CD1 4.48Å; L954-L958 HydrophobicContact CD2-CD1 4.13Å; L954-L958 PolarHBondContact O-N 2.9Å; I955-L958 PolarHBondContact O-N 2.96Å; F956-L958 PolarHBondContact O-N 3.17Å; L958-T962 WeakPolarHBondContact O-CB 3.38Å; L958-T962 PolarHBondContact O-N 3.11Å; L958-T962 VanDerWaalsContact O-N 3.16Å; L958-T962 PolarHBondContact O-OG1 3.47Å
959	F	97.6	Very high	96.9	Very high	153 Å²	153	60.7 Å²	60.7	67%	0.671	29%	0.292	S	S	*	.	H	α-helix	trans	-69.3	-42.9	178.6	-80	-72.5	0	0	0	112.1	I955 F956 G957 A963	I955-F959 HydrophobicContact CG2-CD2 4Å; I955-F959 HydrophobicContact CG2-CE2 3.78Å; I955-F959 VanDerWaalsContact O-CD2 3.24Å; I955-F959 WeakPolarHBondContact O-CD2 3.28Å; I955-F959 PolarHBondContact O-N 3.41Å; F956-F959 PolarHBondContact O-N 3.49Å; G957-F959 VanDerWaalsContact C-N 3.33Å; G957-F959 PolarHBondContact O-N 2.87Å; F959-A963 WeakPolarHBondContact O-CB 3.44Å; F959-A963 PolarHBondContact O-N 2.89Å
960	E	97.6	Very high	96.9	Very high	57 Å²	57	62.1 Å²	62.1	27%	0.266	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-45	-179.7	-172.5	-83.6	159.6	0	0	111.4	V817 F956 G957 T962 A963 L964	V817-E960 WeakPolarHBondContact CB-OE2 3.5Å; V817-E960 WeakPolarHBondContact CG2-OE2 3.31Å; F956-E960 HydrophobicContact CE1-CB 4.15Å; F956-E960 HydrophobicContact CE1-CG 4.3Å; F956-E960 HydrophobicContact CZ-CB 4.17Å; F956-E960 HydrophobicContact CZ-CG 4.24Å; F956-E960 WeakPolarHBondContact O-CB 3.37Å; F956-E960 PolarHBondContact O-N 2.89Å; G957-E960 PolarHBondContact O-N 2.72Å; E960-T962 PolarHBondContact O-N 3.3Å; E960-A963 PolarHBondContact O-N 2.9Å; E960-L964 VanDerWaalsContact O-CB 3.32Å; E960-L964 WeakPolarHBondContact O-CB 3.23Å; E960-L964 PolarHBondContact O-N 2.89Å
961	E	97.5	Very high	97	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-55.7	-50.3	174.5	-174.2	-165.9	178.8	0	0	111.4	T814 P818 V927 G957 L964 A965	T814-E961 HydrophobicContact CG2-CG 4.4Å; P818-E961 HydrophobicContact CG-CB 4.08Å; P818-E961 HydrophobicContact CG-CG 4.15Å; V927-E961 HydrophobicContact CG1-CG 3.99Å; G957-E961 WeakPolarHBondContact O-CB 3.45Å; G957-E961 PolarHBondContact O-N 3.49Å; E961-L964 PolarHBondContact O-N 3.38Å; E961-A965 PolarHBondContact O-N 3.26Å
962	T	97.1	Very high	96.9	Very high	39 Å²	39	60.6 Å²	60.6	24%	0.239	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-42	179.2	-55	0	0	0	0	111.9	W931 L958 E960 L964 A965 A966 W988	W931-T962 VanDerWaalsContact CE2-OG1 3.28Å; W931-T962 HydrophobicContact CH2-CG2 4.34Å; W931-T962 HydrophobicContact CZ2-CG2 3.66Å; W931-T962 WeakPolarHBondContact CZ2-OG1 3.13Å; W931-T962 PolarHBondContact NE1-OG1 2.97Å; W931-T962 VanDerWaalsContact NE1-OG1 3.13Å; L958-T962 WeakPolarHBondContact O-CB 3.38Å; L958-T962 PolarHBondContact O-N 3.11Å; L958-T962 VanDerWaalsContact O-N 3.16Å; L958-T962 PolarHBondContact O-OG1 3.47Å; E960-T962 PolarHBondContact O-N 3.3Å; T962-L964 VanDerWaalsContact C-N 3.34Å; T962-A965 PolarHBondContact O-N 3.39Å; T962-A966 WeakPolarHBondContact O-CB 3.29Å; T962-A966 PolarHBondContact O-N 2.91Å; T962-W988 HydrophobicContact CG2-CZ3 4.46Å
963	A	97.6	Very high	96.7	Very high	61 Å²	61	52.1 Å²	52.1	50%	0.504	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-38.3	178.5	0	0	0	0	0	111.5	F959 E960 A966 F967	F959-A963 WeakPolarHBondContact O-CB 3.44Å; F959-A963 PolarHBondContact O-N 2.89Å; E960-A963 PolarHBondContact O-N 2.9Å; A963-A966 PolarHBondContact O-N 3.34Å; A963-F967 VanDerWaalsContact O-CB 3.32Å; A963-F967 WeakPolarHBondContact O-CB 3.48Å; A963-F967 PolarHBondContact O-N 2.7Å
964	L	97.3	Very high	96.5	Very high	43 Å²	43	50.2 Å²	50.2	23%	0.225	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-47.2	175.4	-178.1	61.2	0	0	0	110.7	T814 E960 E961 T962 A966 F967 L968	T814-L964 HydrophobicContact CG2-CD2 4.1Å; T814-L964 HydrophobicContact CG2-CG 4.35Å; E960-L964 VanDerWaalsContact O-CB 3.32Å; E960-L964 WeakPolarHBondContact O-CB 3.23Å; E960-L964 PolarHBondContact O-N 2.89Å; E961-L964 PolarHBondContact O-N 3.38Å; T962-L964 VanDerWaalsContact C-N 3.34Å; L964-A966 VanDerWaalsContact C-N 3.32Å; L964-A966 PolarHBondContact O-N 3.25Å; L964-F967 WeakPolarHBondContact O-CB 3.37Å; L964-F967 PolarHBondContact O-N 2.73Å; L964-F967 VanDerWaalsContact O-N 3.14Å; L964-L968 HydrophobicContact CD1-CD1 4.41Å; L964-L968 HydrophobicContact CD1-CG 4.23Å; L964-L968 HydrophobicContact CG-CD1 4.2Å; L964-L968 HydrophobicContact CG-CG 4.42Å; L964-L968 VanDerWaalsContact O-CG 3.3Å; L964-L968 WeakPolarHBondContact O-CG 3.16Å; L964-L968 PolarHBondContact O-N 2.95Å
965	A	96.8	Very high	96.2	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.6	-43.8	176.1	0	0	0	0	0	112.1	T814 F923 V927 E961 T962 L968 S969 W988	T814-A965 HydrophobicContact CG2-CB 4.46Å; F923-A965 HydrophobicContact CE1-CB 3.84Å; F923-A965 HydrophobicContact CZ-CB 4.18Å; V927-A965 HydrophobicContact CG1-CB 4.2Å; V927-A965 HydrophobicContact CG2-CB 4.06Å; E961-A965 PolarHBondContact O-N 3.26Å; T962-A965 PolarHBondContact O-N 3.39Å; A965-L968 PolarHBondContact O-N 3.36Å; A965-S969 PolarHBondContact O-N 2.9Å; A965-S969 VanDerWaalsContact O-N 3.08Å; A965-W988 HydrophobicContact CB-CH2 4.3Å
966	A	96.9	Very high	95.7	Very high	30 Å²	30	56 Å²	56	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-41.6	175.1	0	0	0	0	0	112	T962 A963 L964 S969 Y970 W988	T962-A966 WeakPolarHBondContact O-CB 3.29Å; T962-A966 PolarHBondContact O-N 2.91Å; A963-A966 PolarHBondContact O-N 3.34Å; L964-A966 VanDerWaalsContact C-N 3.32Å; L964-A966 PolarHBondContact O-N 3.25Å; A966-S969 PolarHBondContact O-N 3.49Å; A966-Y970 HydrophobicContact CB-CD2 4.32Å; A966-Y970 WeakPolarHBondContact O-CB 3.49Å; A966-Y970 WeakPolarHBondContact O-CD2 3.3Å; A966-Y970 PolarHBondContact O-N 2.99Å; A966-W988 HydrophobicContact CB-CH2 3.99Å; A966-W988 HydrophobicContact CB-CZ2 4.19Å
967	F	97.5	Very high	95.1	Very high	118 Å²	118	53.7 Å²	53.7	52%	0.518	31%	0.311	S	S	.	.	H	α-helix	trans	-61.1	-46.3	175.8	176.7	-97.6	0	0	0	111.4	A963 L964 S969 Y970 C971	A963-F967 VanDerWaalsContact O-CB 3.32Å; A963-F967 WeakPolarHBondContact O-CB 3.48Å; A963-F967 PolarHBondContact O-N 2.7Å; L964-F967 WeakPolarHBondContact O-CB 3.37Å; L964-F967 PolarHBondContact O-N 2.73Å; L964-F967 VanDerWaalsContact O-N 3.14Å; F967-S969 VanDerWaalsContact C-N 3.31Å; F967-S969 PolarHBondContact O-N 2.97Å; F967-Y970 PolarHBondContact O-N 2.95Å; F967-C971 HydrophobicContact CD2-CB 4.02Å; F967-C971 HydrophobicContact CE1-CB 4.33Å; F967-C971 HydrophobicContact CE2-CB 3.83Å; F967-C971 HydrophobicContact CG-CB 4.36Å; F967-C971 HydrophobicContact CZ-CB 3.99Å; F967-C971 WeakPolarHBondContact O-CB 3.48Å; F967-C971 PolarHBondContact O-N 3.31Å
968	L	95.7	Very high	94.7	Very high	18 Å²	18	56 Å²	56	9%	0.094	32%	0.323	C	S	.	.	H	α-helix	trans	-65.2	-33.3	-179.5	-65.1	175.9	0	0	0	112.6	C809 F923 L964 A965 M974 L978 M980	C809-L968 HydrophobicContact CB-CD1 4.35Å; F923-L968 HydrophobicContact CZ-CD1 4.04Å; L964-L968 HydrophobicContact CD1-CD1 4.41Å; L964-L968 HydrophobicContact CD1-CG 4.23Å; L964-L968 HydrophobicContact CG-CD1 4.2Å; L964-L968 HydrophobicContact CG-CG 4.42Å; L964-L968 VanDerWaalsContact O-CG 3.3Å; L964-L968 WeakPolarHBondContact O-CG 3.16Å; L964-L968 PolarHBondContact O-N 2.95Å; A965-L968 PolarHBondContact O-N 3.36Å; L968-M974 HydrophobicContact CD2-CE 3.58Å; L968-M974 VanDerWaalsContact O-CB 3.26Å; L968-M974 WeakPolarHBondContact O-CB 3.14Å; L968-L978 HydrophobicContact CD2-CD1 4.02Å; L968-M980 HydrophobicContact CB-SD 3.53Å; L968-M980 VanDerWaalsContact CB-SD 3.53Å; L968-M980 HydrophobicContact CD1-SD 4.35Å; L968-M980 HydrophobicContact CG-SD 4.49Å; L968-M980 WeakPolarHBondContact O-CB 3.28Å
969	S	95.9	Very high	94.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.014	33%	0.333	C	S	.	.	H	α-helix	trans	-78.5	-38.8	176.4	178.4	0	0	0	0	113.7	A965 A966 F967 Y981 P982 L983	A965-S969 PolarHBondContact O-N 2.9Å; A965-S969 VanDerWaalsContact O-N 3.08Å; A966-S969 PolarHBondContact O-N 3.49Å; F967-S969 VanDerWaalsContact C-N 3.31Å; F967-S969 PolarHBondContact O-N 2.97Å; S969-Y981 CarbonylContact O-C 3.46Å; S969-Y981 PolarHBondContact OG-O 3.28Å; S969-P982 VanDerWaalsContact O-CA 3.29Å; S969-P982 WeakPolarHBondContact O-CA 3.42Å; S969-L983 PolarHBondContact OG-N 3.22Å
970	Y	96.7	Very high	94.3	Very high	101 Å²	101	51.9 Å²	51.9	40%	0.396	30%	0.302	S	S	.	.	H	α-helix	trans	-104.9	-10.5	-169.3	-64.9	-63.8	0	0	0	115.1	A966 F967 P982 L983 W988	A966-Y970 HydrophobicContact CB-CD2 4.32Å; A966-Y970 WeakPolarHBondContact O-CB 3.49Å; A966-Y970 WeakPolarHBondContact O-CD2 3.3Å; A966-Y970 PolarHBondContact O-N 2.99Å; F967-Y970 PolarHBondContact O-N 2.95Å; Y970-P982 HydrophobicContact CD1-CB 3.8Å; Y970-P982 HydrophobicContact CE1-CB 4.03Å; Y970-L983 VanDerWaalsContact CE1-O 3.3Å; Y970-L983 WeakPolarHBondContact CE1-O 3.36Å; Y970-L983 PolarHBondContact OH-O 2.83Å; Y970-W988 AromaticContact CE2-CZ2 3.9Å; Y970-W988 HydrophobicContact CE2-CZ2 3.9Å; Y970-W988 AromaticContact CE2-NE1 3.76Å; Y970-W988 AromaticContact CZ-NE1 3.71Å; Y970-W988 PolarHBondContact OH-NE1 3.11Å
971	C	96.3	Very high	94.2	Very high	36 Å²	36	51.4 Å²	51.4	24%	0.243	30%	0.297	C	S	.	.	S	Bend	trans	-71.6	128	179.8	-175.9	0	0	0	0	110.8	F967 G973 M974	F967-C971 HydrophobicContact CD2-CB 4.02Å; F967-C971 HydrophobicContact CE1-CB 4.33Å; F967-C971 HydrophobicContact CE2-CB 3.83Å; F967-C971 HydrophobicContact CG-CB 4.36Å; F967-C971 HydrophobicContact CZ-CB 3.99Å; F967-C971 WeakPolarHBondContact O-CB 3.48Å; F967-C971 PolarHBondContact O-N 3.31Å; C971-G973 PolarHBondContact O-N 3.01Å; C971-M974 HydrophobicContact CB-CG 3.66Å; C971-M974 WeakPolarHBondContact O-CB 3.34Å; C971-M974 VanDerWaalsContact O-CG 3.27Å; C971-M974 WeakPolarHBondContact O-CG 3.34Å; C971-M974 PolarHBondContact O-N 3.05Å
972	P	95.1	Very high	94.1	Very high	124 Å²	124	55.2 Å²	55.2	81%	0.805	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	129.3	178.2	-24	33.9	0	0	0	112.5
973	G	91.6	Very high	94.1	Very high	36 Å²	36	53.8 Å²	53.8	37%	0.371	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	98.6	-8.7	179.4	0	0	0	0	0	114.7	C971 D975 V976 A977	C971-G973 PolarHBondContact O-N 3.01Å; G973-D975 VanDerWaalsContact C-N 3.27Å; G973-D975 VanDerWaalsContact CA-OD1 3.27Å; G973-D975 WeakPolarHBondContact CA-OD1 3.38Å; G973-D975 PolarHBondContact N-OD1 2.99Å; G973-D975 PolarHBondContact O-N 2.86Å; G973-V976 PolarHBondContact O-N 3.15Å; G973-A977 PolarHBondContact O-N 3.24Å
974	M	92.3	Very high	94	Very high	28 Å²	28	55.4 Å²	55.4	14%	0.138	31%	0.309	C	S	.	.	H	α-helix	trans	-70.9	-24.3	175	-62.2	-54	-59.1	0	0	113	L968 C971 V976 L978 R979 M980	L968-M974 HydrophobicContact CD2-CE 3.58Å; L968-M974 VanDerWaalsContact O-CB 3.26Å; L968-M974 WeakPolarHBondContact O-CB 3.14Å; C971-M974 HydrophobicContact CB-CG 3.66Å; C971-M974 WeakPolarHBondContact O-CB 3.34Å; C971-M974 VanDerWaalsContact O-CG 3.27Å; C971-M974 WeakPolarHBondContact O-CG 3.34Å; C971-M974 PolarHBondContact O-N 3.05Å; M974-V976 PolarHBondContact O-N 3.45Å; M974-L978 HydrophobicContact CE-CB 4.11Å; M974-L978 HydrophobicContact CE-CD1 3.15Å; M974-L978 HydrophobicContact CE-CG 3.54Å; M974-L978 CarbonylContact O-C 3.53Å; M974-L978 PolarHBondContact O-N 2.8Å; M974-R979 PolarHBondContact O-N 3.31Å; M974-M980 CarbonylContact C-O 3.54Å; M974-M980 HydrophobicContact CB-CB 4.44Å; M974-M980 PolarHBondContact O-N 3.3Å; M974-M980 VanDerWaalsContact O-N 3.08Å
975	D	91.2	Very high	93.8	Very high	60 Å²	60	58 Å²	58	32%	0.321	33%	0.329	S	S	.	.	H	α-helix	trans	-64.2	-25.8	172.3	58.7	-52.4	0	0	0	112.6	G973 R979 M980 Y981	G973-D975 VanDerWaalsContact C-N 3.27Å; G973-D975 VanDerWaalsContact CA-OD1 3.27Å; G973-D975 WeakPolarHBondContact CA-OD1 3.38Å; G973-D975 PolarHBondContact N-OD1 2.99Å; G973-D975 PolarHBondContact O-N 2.86Å; D975-R979 VanDerWaalsContact O-CA 3.31Å; D975-R979 WeakPolarHBondContact O-CA 3.44Å; D975-M980 WeakPolarHBondContact CA-O 3.42Å; D975-M980 PolarHBondContact N-O 3.47Å; D975-M980 VanDerWaalsContact N-O 3.12Å; D975-Y981 HydrophobicContact CB-CD1 4.24Å; D975-Y981 HydrophobicContact CB-CD2 4.45Å; D975-Y981 HydrophobicContact CB-CE1 4.06Å; D975-Y981 HydrophobicContact CB-CE2 4.27Å; D975-Y981 HydrophobicContact CB-CG 4.44Å
976	V	87.4	Confident	93.7	Very high	119 Å²	119	60.9 Å²	60.9	72%	0.721	35%	0.352	S	S	*	.	H	α-helix	trans	-95	-46.1	174.6	-177.9	0	0	0	0	111	G973 M974	G973-V976 PolarHBondContact O-N 3.15Å; M974-V976 PolarHBondContact O-N 3.45Å
977	A	85.4	Confident	93.7	Very high	74 Å²	74	60 Å²	60	61%	0.612	34%	0.343	S	S	*	.	H	α-helix	trans	-71.8	-45.6	-173.2	0	0	0	0	0	113.2	G973	G973-A977 PolarHBondContact O-N 3.24Å
978	L	88.2	Confident	93.6	Very high	49 Å²	49	55.9 Å²	55.9	26%	0.257	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.7	1.2	-176.6	-60.7	-173.3	0	0	0	113.3	V805 L968 M974 M980	V805-L978 HydrophobicContact CG1-CB 4.16Å; V805-L978 HydrophobicContact CG1-CD2 3.83Å; L968-L978 HydrophobicContact CD2-CD1 4.02Å; M974-L978 HydrophobicContact CE-CB 4.11Å; M974-L978 HydrophobicContact CE-CD1 3.15Å; M974-L978 HydrophobicContact CE-CG 3.54Å; M974-L978 CarbonylContact O-C 3.53Å; M974-L978 PolarHBondContact O-N 2.8Å; L978-M980 HydrophobicContact CB-CG 4.21Å; L978-M980 PolarHBondContact O-N 3Å
979	R	91.8	Very high	93.7	Very high	94 Å²	94	61.3 Å²	61.3	36%	0.355	35%	0.346	S	S	.	.			trans	57	34.7	-171.7	-56.8	-177.1	177.2	156.9	8.1	112.9	D128 F916 M974 D975	D128-R979 IonicContact OD1-CZ 2.81Å; D128-R979 IonicContact OD1-NH1 2.78Å; D128-R979 PolarHBondContact OD1-NH1 3.27Å; D128-R979 IonicContact OD1-NH2 2.9Å; D128-R979 PolarHBondContact OD1-NH2 3.19Å; D128-R979 IonicContact OD2-CZ 2.72Å; D128-R979 IonicContact OD2-NH1 2.65Å; D128-R979 PolarHBondContact OD2-NH1 3.49Å; D128-R979 IonicContact OD2-NH2 2.78Å; D128-R979 PolarHBondContact OD2-NH2 3.48Å; F916-R979 HydrophobicContact CB-CB 4.43Å; F916-R979 HydrophobicContact CD1-CB 4.09Å; F916-R979 HydrophobicContact CD2-CB 4.38Å; F916-R979 HydrophobicContact CG-CB 4.05Å; M974-R979 PolarHBondContact O-N 3.31Å; D975-R979 VanDerWaalsContact O-CA 3.31Å; D975-R979 WeakPolarHBondContact O-CA 3.44Å
980	M	93.9	Very high	93.7	Very high	1 Å²	1	62 Å²	62	1%	0.005	35%	0.351	C	S	.	.			trans	-97.4	121.5	175.4	-73.6	-162.8	171.7	0	0	111.5	T806 C809 T920 F923 L968 M974 D975 L978	T806-M980 HydrophobicContact CG2-CE 3.71Å; C809-M980 HydrophobicContact CB-CE 3.83Å; T920-M980 HydrophobicContact CG2-CB 4.14Å; T920-M980 HydrophobicContact CG2-CG 4.31Å; T920-M980 VanDerWaalsContact OG1-CA 3.31Å; T920-M980 WeakPolarHBondContact OG1-CA 3.37Å; F923-M980 HydrophobicContact CD1-CE 3.85Å; F923-M980 HydrophobicContact CD1-SD 4.45Å; F923-M980 HydrophobicContact CD2-CE 3.98Å; F923-M980 HydrophobicContact CE1-CE 3.99Å; F923-M980 HydrophobicContact CE1-SD 4.41Å; F923-M980 HydrophobicContact CE2-CE 4.14Å; F923-M980 HydrophobicContact CG-CE 3.85Å; F923-M980 HydrophobicContact CZ-CE 4.14Å; L968-M980 HydrophobicContact CB-SD 3.53Å; L968-M980 VanDerWaalsContact CB-SD 3.53Å; L968-M980 HydrophobicContact CD1-SD 4.35Å; L968-M980 HydrophobicContact CG-SD 4.49Å; L968-M980 WeakPolarHBondContact O-CB 3.28Å; M974-M980 CarbonylContact C-O 3.54Å; M974-M980 HydrophobicContact CB-CB 4.44Å; M974-M980 PolarHBondContact O-N 3.3Å; M974-M980 VanDerWaalsContact O-N 3.08Å; D975-M980 WeakPolarHBondContact CA-O 3.42Å; D975-M980 PolarHBondContact N-O 3.47Å; D975-M980 VanDerWaalsContact N-O 3.12Å; L978-M980 HydrophobicContact CB-CG 4.21Å; L978-M980 PolarHBondContact O-N 3Å
981	Y	95.5	Very high	93.6	Very high	46 Å²	46	57.2 Å²	57.2	18%	0.18	33%	0.332	C	S	.	.			trans	-104.3	151.5	-175.4	-77.6	-99.2	0	0	0	111.9	I913 F916 T917 T920 S969 D975 L983	I913-Y981 HydrophobicContact CB-CE1 4.33Å; I913-Y981 HydrophobicContact CG1-CE1 4.04Å; I913-Y981 HydrophobicContact CG2-CD1 3.98Å; I913-Y981 HydrophobicContact CG2-CE1 3.74Å; F916-Y981 HydrophobicContact CB-CD2 3.5Å; F916-Y981 VanDerWaalsContact CB-CD2 3.5Å; F916-Y981 HydrophobicContact CB-CE2 3.46Å; F916-Y981 VanDerWaalsContact CB-CE2 3.46Å; F916-Y981 AromaticContact CD2-CE2 3.89Å; F916-Y981 HydrophobicContact CD2-CE2 3.89Å; F916-Y981 HydrophobicContact CG-CE2 4.1Å; T917-Y981 WeakPolarHBondContact OG1-CB 3.49Å; T920-Y981 WeakPolarHBondContact CG2-O 3.29Å; T920-Y981 PolarHBondContact OG1-N 3.22Å; S969-Y981 CarbonylContact O-C 3.46Å; S969-Y981 PolarHBondContact OG-O 3.28Å; D975-Y981 HydrophobicContact CB-CD1 4.24Å; D975-Y981 HydrophobicContact CB-CD2 4.45Å; D975-Y981 HydrophobicContact CB-CE1 4.06Å; D975-Y981 HydrophobicContact CB-CE2 4.27Å; D975-Y981 HydrophobicContact CB-CG 4.44Å; Y981-L983 PolarHBondContact O-N 3.31Å
982	P	96.2	Very high	93.7	Very high	81 Å²	81	59.5 Å²	59.5	53%	0.526	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-67.5	128.8	-179.5	26.9	-34.7	0	0	0	111.6	S969 Y970	S969-P982 VanDerWaalsContact O-CA 3.29Å; S969-P982 WeakPolarHBondContact O-CA 3.42Å; Y970-P982 HydrophobicContact CD1-CB 3.8Å; Y970-P982 HydrophobicContact CE1-CB 4.03Å
983	L	96.1	Very high	93.8	Very high	8 Å²	8	57.4 Å²	57.4	4%	0.042	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-86.5	145.5	-178.7	-60.4	-179	0	0	0	112.7	T917 T920 A921 T924 S969 Y970 Y981 W987	T917-L983 HydrophobicContact CG2-CD2 4.12Å; T920-L983 HydrophobicContact CG2-CD1 4.37Å; T920-L983 HydrophobicContact CG2-CD2 4.19Å; T920-L983 HydrophobicContact CG2-CG 4.18Å; A921-L983 HydrophobicContact CB-CD1 4.28Å; A921-L983 HydrophobicContact CB-CD2 3.73Å; T924-L983 HydrophobicContact CG2-CD1 4.1Å; T924-L983 VanDerWaalsContact OG1-CD1 3.23Å; T924-L983 WeakPolarHBondContact OG1-CD1 3.41Å; S969-L983 PolarHBondContact OG-N 3.22Å; Y970-L983 VanDerWaalsContact CE1-O 3.3Å; Y970-L983 WeakPolarHBondContact CE1-O 3.36Å; Y970-L983 PolarHBondContact OH-O 2.83Å; Y981-L983 PolarHBondContact O-N 3.31Å; L983-W987 HydrophobicContact CB-CE3 4.05Å; L983-W987 HydrophobicContact CD2-CE3 3.82Å; L983-W987 HydrophobicContact CD2-CZ3 4.26Å
984	K	95.4	Very high	94.1	Very high	95 Å²	95	58.7 Å²	58.7	41%	0.413	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-65.9	145.5	166	-62.6	-177.9	-166.3	165.8	0	109.7	E875 A986 W987	E875-K984 IonicContact OE2-NZ 3.74Å; K984-A986 PolarHBondContact O-N 3.1Å; K984-A986 VanDerWaalsContact O-N 3.12Å; K984-W987 HydrophobicContact CB-CD2 3.73Å; K984-W987 HydrophobicContact CB-CE3 3.91Å; K984-W987 HydrophobicContact CB-CG 4.18Å; K984-W987 HydrophobicContact CB-CH2 4.47Å; K984-W987 HydrophobicContact CB-CZ2 4.32Å; K984-W987 HydrophobicContact CB-CZ3 4.25Å; K984-W987 HydrophobicContact CD-CD2 4.39Å; K984-W987 HydrophobicContact CD-CH2 3.88Å; K984-W987 HydrophobicContact CD-CZ2 3.46Å; K984-W987 VanDerWaalsContact CD-CZ2 3.46Å; K984-W987 HydrophobicContact CD-CZ3 4.46Å; K984-W987 VanDerWaalsContact CE-CZ2 3.45Å; K984-W987 HydrophobicContact CG-CD2 4.12Å; K984-W987 HydrophobicContact CG-CE3 4.09Å; K984-W987 HydrophobicContact CG-CH2 3.79Å; K984-W987 HydrophobicContact CG-CZ2 3.81Å; K984-W987 HydrophobicContact CG-CZ3 3.9Å; K984-W987 PolarHBondContact O-N 2.89Å
985	P	94.4	Very high	94.3	Very high	99 Å²	99	58 Å²	58	64%	0.643	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-55.2	-34.2	-180	-28.4	35.4	0	0	0	114.4	W987 W988 F989	P985-W987 VanDerWaalsContact C-N 3.28Å; P985-W987 PolarHBondContact O-N 3.05Å; P985-W988 PolarHBondContact O-N 3.36Å; P985-F989 WeakPolarHBondContact O-CD2 3.38Å; P985-F989 WeakPolarHBondContact O-CE2 3.27Å
986	A	94.9	Very high	94.6	Very high	60 Å²	60	61.7 Å²	61.7	50%	0.496	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-62.8	-33.8	179	0	0	0	0	0	113	K984 W988 F989	K984-A986 PolarHBondContact O-N 3.1Å; K984-A986 VanDerWaalsContact O-N 3.12Å; A986-W988 VanDerWaalsContact C-N 3.27Å; A986-W988 PolarHBondContact O-N 3.47Å; A986-F989 PolarHBondContact O-N 3.33Å
987	W	96	Very high	95.1	Very high	12 Å²	12	60 Å²	60	5%	0.045	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-70	-24.1	-175	-58.4	-22.1	0	0	0	113.1	I872 E875 T917 L983 K984 P985 F989 C990	I872-W987 HydrophobicContact CD1-CB 4.4Å; I872-W987 HydrophobicContact CD1-CD2 3.87Å; I872-W987 HydrophobicContact CD1-CE3 4.03Å; I872-W987 HydrophobicContact CD1-CG 4.07Å; I872-W987 HydrophobicContact CG1-CD2 3.82Å; I872-W987 HydrophobicContact CG1-CE3 4.37Å; I872-W987 HydrophobicContact CG1-CG 3.98Å; I872-W987 HydrophobicContact CG1-CZ2 4.21Å; I872-W987 HydrophobicContact CG2-CH2 4.24Å; I872-W987 HydrophobicContact CG2-CZ2 4.14Å; E875-W987 PolarHBondContact OE2-NE1 2.77Å; T917-W987 HydrophobicContact CG2-CE3 4.22Å; T917-W987 HydrophobicContact CG2-CH2 3.87Å; T917-W987 HydrophobicContact CG2-CZ3 3.35Å; L983-W987 HydrophobicContact CB-CE3 4.05Å; L983-W987 HydrophobicContact CD2-CE3 3.82Å; L983-W987 HydrophobicContact CD2-CZ3 4.26Å; K984-W987 HydrophobicContact CB-CD2 3.73Å; K984-W987 HydrophobicContact CB-CE3 3.91Å; K984-W987 HydrophobicContact CB-CG 4.18Å; K984-W987 HydrophobicContact CB-CH2 4.47Å; K984-W987 HydrophobicContact CB-CZ2 4.32Å; K984-W987 HydrophobicContact CB-CZ3 4.25Å; K984-W987 HydrophobicContact CD-CD2 4.39Å; K984-W987 HydrophobicContact CD-CH2 3.88Å; K984-W987 HydrophobicContact CD-CZ2 3.46Å; K984-W987 VanDerWaalsContact CD-CZ2 3.46Å; K984-W987 HydrophobicContact CD-CZ3 4.46Å; K984-W987 VanDerWaalsContact CE-CZ2 3.45Å; K984-W987 HydrophobicContact CG-CD2 4.12Å; K984-W987 HydrophobicContact CG-CE3 4.09Å; K984-W987 HydrophobicContact CG-CH2 3.79Å; K984-W987 HydrophobicContact CG-CZ2 3.81Å; K984-W987 HydrophobicContact CG-CZ3 3.9Å; K984-W987 PolarHBondContact O-N 2.89Å; P985-W987 VanDerWaalsContact C-N 3.28Å; P985-W987 PolarHBondContact O-N 3.05Å; W987-F989 PolarHBondContact O-N 3.37Å; W987-C990 PolarHBondContact O-N 2.53Å
988	W	95.9	Very high	95.7	Very high	31 Å²	31	56.5 Å²	56.5	12%	0.117	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-64.7	-21.4	170.1	-76.4	81.5	0	0	0	113	T924 I928 T962 A965 A966 Y970 P985 A986 F992	T924-W988 HydrophobicContact CG2-CD2 3.63Å; T924-W988 HydrophobicContact CG2-CE3 3.41Å; T924-W988 VanDerWaalsContact CG2-CE3 3.41Å; T924-W988 HydrophobicContact CG2-CG 4.39Å; T924-W988 HydrophobicContact CG2-CH2 3.74Å; T924-W988 HydrophobicContact CG2-CZ2 3.94Å; T924-W988 HydrophobicContact CG2-CZ3 3.48Å; T924-W988 VanDerWaalsContact CG2-CZ3 3.48Å; I928-W988 HydrophobicContact CD1-CE3 4.41Å; I928-W988 WeakPolarHBondContact CD1-O 3.44Å; T962-W988 HydrophobicContact CG2-CZ3 4.46Å; A965-W988 HydrophobicContact CB-CH2 4.3Å; A966-W988 HydrophobicContact CB-CH2 3.99Å; A966-W988 HydrophobicContact CB-CZ2 4.19Å; Y970-W988 AromaticContact CE2-CZ2 3.9Å; Y970-W988 HydrophobicContact CE2-CZ2 3.9Å; Y970-W988 AromaticContact CE2-NE1 3.76Å; Y970-W988 AromaticContact CZ-NE1 3.71Å; Y970-W988 PolarHBondContact OH-NE1 3.11Å; P985-W988 PolarHBondContact O-N 3.36Å; A986-W988 VanDerWaalsContact C-N 3.27Å; A986-W988 PolarHBondContact O-N 3.47Å; W988-F992 VanDerWaalsContact O-CD2 3.29Å; W988-F992 WeakPolarHBondContact O-CD2 3.17Å; W988-F992 WeakPolarHBondContact O-CE2 3.27Å
989	F	96.6	Very high	96.2	Very high	131 Å²	131	57 Å²	57	58%	0.575	29%	0.288	S	S	*	.	G	3₁₀ helix	trans	-96	-6	-177.9	-60.8	-76.1	0	0	0	113.3	P985 A986 W987 A991 F992	P985-F989 WeakPolarHBondContact O-CD2 3.38Å; P985-F989 WeakPolarHBondContact O-CE2 3.27Å; A986-F989 PolarHBondContact O-N 3.33Å; W987-F989 PolarHBondContact O-N 3.37Å; F989-A991 VanDerWaalsContact C-N 3.33Å; F989-A991 PolarHBondContact O-N 3.36Å; F989-F992 AromaticContact CD1-CD2 4Å; F989-F992 HydrophobicContact CD1-CD2 4Å; F989-F992 AromaticContact CD1-CE2 3.93Å; F989-F992 HydrophobicContact CD1-CE2 3.93Å; F989-F992 HydrophobicContact CD1-CG 4.43Å; F989-F992 HydrophobicContact CD1-CZ 4.31Å; F989-F992 HydrophobicContact CE1-CE2 4.28Å; F989-F992 HydrophobicContact CE1-CZ 4.35Å; F989-F992 PolarHBondContact O-N 3.07Å
990	C	95.9	Very high	96.5	Very high	17 Å²	17	56.7 Å²	56.7	12%	0.115	29%	0.293	C	S	.	.	S	Bend	trans	-61.5	-39.4	-178.8	-69.1	0	0	0	0	112.7	F867 T868 W987 P993	F867-C990 HydrophobicContact CD1-CB 4.26Å; F867-C990 HydrophobicContact CE1-CB 4.22Å; T868-C990 HydrophobicContact CG2-CB 4.01Å; T868-C990 WeakPolarHBondContact OG1-CB 3.44Å; W987-C990 PolarHBondContact O-N 2.53Å; C990-P993 WeakPolarHBondContact O-CD 3.31Å
991	A	96.2	Very high	96.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.308	C	S	.	.	S	Bend	trans	-86.9	-11.6	-177.2	0	0	0	0	0	114.4	A864 I928 V929 F989 Y994 S995	A864-A991 HydrophobicContact CB-CB 4.27Å; I928-A991 HydrophobicContact CB-CB 4.08Å; I928-A991 HydrophobicContact CD1-CB 4.16Å; I928-A991 HydrophobicContact CG2-CB 4Å; V929-A991 HydrophobicContact CG1-CB 4.36Å; F989-A991 VanDerWaalsContact C-N 3.33Å; F989-A991 PolarHBondContact O-N 3.36Å; A991-Y994 PolarHBondContact O-N 3.09Å; A991-Y994 VanDerWaalsContact O-N 3.15Å; A991-S995 PolarHBondContact O-N 3.21Å; A991-S995 VanDerWaalsContact O-N 3.08Å
992	F	96.8	Very high	96.8	Very high	84 Å²	84	58.5 Å²	58.5	37%	0.368	30%	0.3	S	S	.	.	H	α-helix	trans	-56.7	-44	-177.3	-97.1	-106.3	0	0	0	114.4	I928 W931 W988 F989 Y994 S995 F996	I928-F992 HydrophobicContact CD1-CD2 4.43Å; I928-F992 HydrophobicContact CD1-CE2 4.43Å; I928-F992 HydrophobicContact CG1-CE2 4.41Å; I928-F992 HydrophobicContact CG2-CD2 3.74Å; I928-F992 HydrophobicContact CG2-CE2 4.08Å; I928-F992 HydrophobicContact CG2-CG 4.28Å; W931-F992 HydrophobicContact CH2-CE2 4.36Å; W931-F992 HydrophobicContact CH2-CZ 4.21Å; W931-F992 HydrophobicContact CZ3-CE1 4.25Å; W931-F992 AromaticContact CZ3-CE2 3.93Å; W931-F992 HydrophobicContact CZ3-CE2 3.93Å; W931-F992 AromaticContact CZ3-CZ 3.56Å; W931-F992 HydrophobicContact CZ3-CZ 3.56Å; W988-F992 VanDerWaalsContact O-CD2 3.29Å; W988-F992 WeakPolarHBondContact O-CD2 3.17Å; W988-F992 WeakPolarHBondContact O-CE2 3.27Å; F989-F992 AromaticContact CD1-CD2 4Å; F989-F992 HydrophobicContact CD1-CD2 4Å; F989-F992 AromaticContact CD1-CE2 3.93Å; F989-F992 HydrophobicContact CD1-CE2 3.93Å; F989-F992 HydrophobicContact CD1-CG 4.43Å; F989-F992 HydrophobicContact CD1-CZ 4.31Å; F989-F992 HydrophobicContact CE1-CE2 4.28Å; F989-F992 HydrophobicContact CE1-CZ 4.35Å; F989-F992 PolarHBondContact O-N 3.07Å; F992-Y994 PolarHBondContact O-N 3.21Å; F992-S995 WeakPolarHBondContact O-CB 3.5Å; F992-S995 PolarHBondContact O-N 3.38Å; F992-F996 PolarHBondContact O-N 3.21Å
993	P	97.6	Very high	96.9	Very high	81 Å²	81	56 Å²	56	53%	0.526	28%	0.282	S	S	.	.	H	α-helix	trans	-59.7	-35.4	178.3	-25.6	35.7	0	0	0	113.2	C990 L997	C990-P993 WeakPolarHBondContact O-CD 3.31Å; P993-L997 WeakPolarHBondContact O-CB 3.14Å; P993-L997 PolarHBondContact O-N 3.37Å
994	Y	97.8	Very high	96.9	Very high	63 Å²	63	59 Å²	59	25%	0.247	30%	0.3	C	S	.	.	H	α-helix	trans	-73.3	-39.7	177.4	-68.3	-93.8	0	0	0	111.7	A864 F867 A991 F992 F996 L997 I998	A864-Y994 VanDerWaalsContact CB-CB 3.5Å; A864-Y994 HydrophobicContact CB-CD1 4.06Å; A864-Y994 HydrophobicContact CB-CD2 3.78Å; A864-Y994 HydrophobicContact CB-CG 3.51Å; F867-Y994 HydrophobicContact CB-CE2 3.92Å; F867-Y994 AromaticContact CD1-CE2 3.95Å; F867-Y994 HydrophobicContact CD1-CE2 3.95Å; F867-Y994 AromaticContact CG-CE2 3.92Å; F867-Y994 HydrophobicContact CG-CE2 3.92Å; A991-Y994 PolarHBondContact O-N 3.09Å; A991-Y994 VanDerWaalsContact O-N 3.15Å; F992-Y994 PolarHBondContact O-N 3.21Å; Y994-F996 VanDerWaalsContact C-N 3.32Å; Y994-F996 PolarHBondContact O-N 2.97Å; Y994-L997 WeakPolarHBondContact O-CB 3.39Å; Y994-L997 PolarHBondContact O-N 3.14Å; Y994-L997 VanDerWaalsContact O-N 3.16Å; Y994-I998 WeakPolarHBondContact O-CG1 3.44Å; Y994-I998 PolarHBondContact O-N 3.38Å
995	S	97.8	Very high	97	Very high	14 Å²	14	55 Å²	55	10%	0.098	28%	0.282	C	S	.	.	H	α-helix	trans	-58.2	-44.8	172.7	-172.8	0	0	0	0	111.1	I928 A932 A991 F992 L997 I998 F999	I928-S995 WeakPolarHBondContact O-CB 3.39Å; I928-S995 PolarHBondContact O-OG 3.25Å; A932-S995 WeakPolarHBondContact CB-O 3.42Å; A932-S995 VanDerWaalsContact CB-OG 3.3Å; A932-S995 WeakPolarHBondContact CB-OG 3.18Å; A991-S995 PolarHBondContact O-N 3.21Å; A991-S995 VanDerWaalsContact O-N 3.08Å; F992-S995 WeakPolarHBondContact O-CB 3.5Å; F992-S995 PolarHBondContact O-N 3.38Å; S995-L997 PolarHBondContact O-N 2.86Å; S995-I998 PolarHBondContact O-N 2.98Å; S995-F999 PolarHBondContact O-N 2.97Å; S995-F999 VanDerWaalsContact O-N 3.11Å
996	F	97.6	Very high	97.1	Very high	136 Å²	136	50.2 Å²	50.2	60%	0.596	25%	0.252	S	S	*	.	H	α-helix	trans	-64.2	-38.6	174.2	-175.8	-105	0	0	0	113.1	F992 Y994 F999 L1000	F992-F996 PolarHBondContact O-N 3.21Å; Y994-F996 VanDerWaalsContact C-N 3.32Å; Y994-F996 PolarHBondContact O-N 2.97Å; F996-F999 PolarHBondContact O-N 3.26Å; F996-L1000 WeakPolarHBondContact O-CB 3.49Å; F996-L1000 PolarHBondContact O-N 2.93Å
997	L	97.7	Very high	97.1	Very high	84 Å²	84	53.3 Å²	53.3	44%	0.44	25%	0.251	S	S	.	.	H	α-helix	trans	-62.4	-46.3	175.6	177.3	64.6	0	0	0	111.8	M860 P993 Y994 S995 F999 L1000 Y1001	M860-L997 HydrophobicContact SD-CD2 4.34Å; M860-L997 HydrophobicContact SD-CG 4.29Å; P993-L997 WeakPolarHBondContact O-CB 3.14Å; P993-L997 PolarHBondContact O-N 3.37Å; Y994-L997 WeakPolarHBondContact O-CB 3.39Å; Y994-L997 PolarHBondContact O-N 3.14Å; Y994-L997 VanDerWaalsContact O-N 3.16Å; S995-L997 PolarHBondContact O-N 2.86Å; L997-F999 VanDerWaalsContact C-N 3.32Å; L997-F999 PolarHBondContact O-N 3.48Å; L997-L1000 PolarHBondContact O-N 3.48Å; L997-Y1001 VanDerWaalsContact O-CB 3.22Å; L997-Y1001 WeakPolarHBondContact O-CB 3.08Å; L997-Y1001 PolarHBondContact O-N 3.46Å
998	I	98.3	Very high	97.1	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.7	-48.5	177	-73.3	165.1	0	0	0	110.2	I857 M860 Q861 V929 A932 I936 Y994 S995 L1000 Y1001 D1002	I857-I998 HydrophobicContact CD1-CG2 4.41Å; I857-I998 HydrophobicContact CG2-CD1 4.28Å; I857-I998 HydrophobicContact CG2-CG1 4.28Å; I857-I998 HydrophobicContact CG2-CG2 3.81Å; M860-I998 HydrophobicContact CB-CD1 4.06Å; M860-I998 HydrophobicContact CB-CG1 3.79Å; M860-I998 HydrophobicContact CG-CG1 4.5Å; M860-I998 HydrophobicContact SD-CG1 3.95Å; Q861-I998 HydrophobicContact CG-CD1 3.78Å; V929-I998 HydrophobicContact CB-CD1 3.88Å; V929-I998 HydrophobicContact CG1-CD1 4.2Å; A932-I998 HydrophobicContact CB-CB 4.19Å; A932-I998 HydrophobicContact CB-CG2 3.96Å; I936-I998 HydrophobicContact CD1-CG2 3.67Å; I936-I998 HydrophobicContact CG1-CG2 4.47Å; Y994-I998 WeakPolarHBondContact O-CG1 3.44Å; Y994-I998 PolarHBondContact O-N 3.38Å; S995-I998 PolarHBondContact O-N 2.98Å; I998-L1000 PolarHBondContact O-N 3.37Å; I998-Y1001 PolarHBondContact O-N 2.68Å; I998-D1002 PolarHBondContact O-N 2.86Å; I998-D1002 VanDerWaalsContact O-N 3.12Å
999	F	98	Very high	97	Very high	59 Å²	59	54.8 Å²	54.8	26%	0.259	26%	0.261	S	S	.	.	H	α-helix	trans	-58.5	-49.9	177.6	174.5	-99.5	0	0	0	112.3	A932 I935 I936 I944 S995 F996 L997 Y1001 E1003	A932-F999 HydrophobicContact CB-CB 4.24Å; I935-F999 HydrophobicContact CG2-CD2 3.98Å; I935-F999 HydrophobicContact CG2-CE2 3.87Å; I936-F999 HydrophobicContact CG2-CD2 4.29Å; I944-F999 HydrophobicContact CD1-CE2 4.16Å; I944-F999 HydrophobicContact CG2-CE2 4.07Å; I944-F999 HydrophobicContact CG2-CZ 3.98Å; S995-F999 PolarHBondContact O-N 2.97Å; S995-F999 VanDerWaalsContact O-N 3.11Å; F996-F999 PolarHBondContact O-N 3.26Å; L997-F999 VanDerWaalsContact C-N 3.32Å; L997-F999 PolarHBondContact O-N 3.48Å; F999-Y1001 PolarHBondContact O-N 3.33Å; F999-E1003 VanDerWaalsContact O-CB 3.31Å; F999-E1003 WeakPolarHBondContact O-CB 3.48Å; F999-E1003 PolarHBondContact O-N 3.16Å; F999-E1003 VanDerWaalsContact O-N 3.11Å
1000	L	97.8	Very high	96.9	Very high	88 Å²	88	51.2 Å²	51.2	46%	0.461	24%	0.244	S	C	.	.	H	α-helix	trans	-64.1	-42.1	-179.6	-174.6	70.3	0	0	0	111.6	F996 L997 I998 E1003 V1004	F996-L1000 WeakPolarHBondContact O-CB 3.49Å; F996-L1000 PolarHBondContact O-N 2.93Å; L997-L1000 PolarHBondContact O-N 3.48Å; I998-L1000 PolarHBondContact O-N 3.37Å; L1000-E1003 PolarHBondContact O-N 3.02Å; L1000-V1004 HydrophobicContact CD1-CG2 4.42Å; L1000-V1004 HydrophobicContact CG-CG2 4.45Å; L1000-V1004 WeakPolarHBondContact O-CB 3.35Å; L1000-V1004 VanDerWaalsContact O-CG2 3.25Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.4Å; L1000-V1004 PolarHBondContact O-N 2.89Å
1001	Y	98.1	Very high	96.9	Very high	83 Å²	83	59.5 Å²	59.5	33%	0.325	27%	0.273	S	S	.	.	H	α-helix	trans	-58.7	-54.3	-179.2	174	-103.9	0	0	0	111.7	Q856 I857 M860 L997 I998 F999 E1003 V1004 R1005	Q856-Y1001 HydrophobicContact CB-CE1 4.48Å; Q856-Y1001 PolarHBondContact OE1-OH 3.22Å; I857-Y1001 HydrophobicContact CD1-CD1 3.69Å; I857-Y1001 HydrophobicContact CD1-CE1 3.97Å; M860-Y1001 HydrophobicContact CE-CD1 3.81Å; M860-Y1001 HydrophobicContact CE-CD2 4.07Å; M860-Y1001 HydrophobicContact CE-CE1 4.09Å; M860-Y1001 HydrophobicContact CE-CE2 4.34Å; M860-Y1001 HydrophobicContact CE-CG 3.8Å; L997-Y1001 VanDerWaalsContact O-CB 3.22Å; L997-Y1001 WeakPolarHBondContact O-CB 3.08Å; L997-Y1001 PolarHBondContact O-N 3.46Å; I998-Y1001 PolarHBondContact O-N 2.68Å; F999-Y1001 PolarHBondContact O-N 3.33Å; Y1001-E1003 PolarHBondContact O-N 3.25Å; Y1001-V1004 PolarHBondContact O-N 3.07Å; Y1001-R1005 WeakPolarHBondContact O-CB 3.35Å; Y1001-R1005 PolarHBondContact O-N 2.75Å
1002	D	97.8	Very high	96.8	Very high	2 Å²	2	64.2 Å²	64.2	1%	0.011	30%	0.298	C	S	.	.	H	α-helix	trans	-70.4	-33.5	-178.2	-170.4	69.2	0	0	0	112.2	I936 I998 V1004 R1005 R1006	I936-D1002 HydrophobicContact CB-CB 3.81Å; I936-D1002 HydrophobicContact CD1-CB 3.71Å; I936-D1002 HydrophobicContact CG1-CB 4.35Å; I936-D1002 HydrophobicContact CG2-CB 3.74Å; I998-D1002 PolarHBondContact O-N 2.86Å; I998-D1002 VanDerWaalsContact O-N 3.12Å; D1002-V1004 PolarHBondContact O-N 3.27Å; D1002-R1005 WeakPolarHBondContact O-CB 3.18Å; D1002-R1005 PolarHBondContact O-N 3.37Å; D1002-R1005 IonicContact OD1-CZ 2.74Å; D1002-R1005 IonicContact OD1-NE 3.05Å; D1002-R1005 PolarHBondContact OD1-NE 3.44Å; D1002-R1005 IonicContact OD1-NH2 3.34Å; D1002-R1005 PolarHBondContact OD1-NH2 2.87Å; D1002-R1005 IonicContact OD2-NH2 3.47Å; D1002-R1006 WeakPolarHBondContact O-CB 3.42Å; D1002-R1006 VanDerWaalsContact O-CG 3.3Å; D1002-R1006 WeakPolarHBondContact O-CG 3.3Å; D1002-R1006 PolarHBondContact O-N 2.98Å; D1002-R1006 VanDerWaalsContact OD2-CD 3.24Å; D1002-R1006 WeakPolarHBondContact OD2-CD 3.24Å; D1002-R1006 IonicContact OD2-CZ 3.42Å; D1002-R1006 IonicContact OD2-NE 3.06Å; D1002-R1006 PolarHBondContact OD2-NE 2.76Å; D1002-R1006 IonicContact OD2-NH1 2.87Å; D1002-R1006 PolarHBondContact OD2-NH1 3.31Å; D1002-R1006 IonicContact OD2-NH2 2.67Å
1003	E	97.8	Very high	96.5	Very high	30 Å²	30	64.3 Å²	64.3	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-64	-41.7	175.3	-168.4	58.6	-138.3	0	0	111.8	S943 I944 F999 L1000 Y1001 R1006 Y1007 R1010	S943-E1003 VanDerWaalsContact CA-OE1 3.27Å; S943-E1003 WeakPolarHBondContact CA-OE1 3.48Å; S943-E1003 WeakPolarHBondContact CB-OE1 3.13Å; S943-E1003 PolarHBondContact OG-OE1 3.45Å; I944-E1003 PolarHBondContact N-OE2 3.31Å; F999-E1003 VanDerWaalsContact O-CB 3.31Å; F999-E1003 WeakPolarHBondContact O-CB 3.48Å; F999-E1003 PolarHBondContact O-N 3.16Å; F999-E1003 VanDerWaalsContact O-N 3.11Å; L1000-E1003 PolarHBondContact O-N 3.02Å; Y1001-E1003 PolarHBondContact O-N 3.25Å; E1003-R1006 IonicContact OE2-CZ 3.06Å; E1003-R1006 IonicContact OE2-NE 3.53Å; E1003-R1006 IonicContact OE2-NH2 2.68Å; E1003-R1006 PolarHBondContact OE2-NH2 3.38Å; E1003-Y1007 WeakPolarHBondContact O-CB 3.34Å; E1003-Y1007 PolarHBondContact O-N 3.04Å; E1003-R1010 IonicContact OE1-NH2 2.62Å
1004	V	97	Very high	96.1	Very high	70 Å²	70	62.8 Å²	62.8	42%	0.424	31%	0.306	S	S	.	.	H	α-helix	trans	-66.3	-43	173.7	171.8	0	0	0	0	111	L1000 Y1001 D1002 R1006 Y1007 I1008	L1000-V1004 HydrophobicContact CD1-CG2 4.42Å; L1000-V1004 HydrophobicContact CG-CG2 4.45Å; L1000-V1004 WeakPolarHBondContact O-CB 3.35Å; L1000-V1004 VanDerWaalsContact O-CG2 3.25Å; L1000-V1004 WeakPolarHBondContact O-CG2 3.4Å; L1000-V1004 PolarHBondContact O-N 2.89Å; Y1001-V1004 PolarHBondContact O-N 3.07Å; D1002-V1004 PolarHBondContact O-N 3.27Å; V1004-R1006 PolarHBondContact O-N 2.9Å; V1004-Y1007 WeakPolarHBondContact O-CB 3.35Å; V1004-Y1007 PolarHBondContact O-N 3.11Å; V1004-I1008 HydrophobicContact CG1-CD1 4.02Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.32Å; V1004-I1008 PolarHBondContact O-N 3.27Å
1005	R	96.7	Very high	95.8	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.038	30%	0.3	C	S	.	.	H	α-helix	trans	-56.9	-50	175.9	-175	-164.9	69.4	84.2	-0.7	111.2	Y1001 D1002 Y1007 I1008 L1009 V1017 T1021	Y1001-R1005 WeakPolarHBondContact O-CB 3.35Å; Y1001-R1005 PolarHBondContact O-N 2.75Å; D1002-R1005 WeakPolarHBondContact O-CB 3.18Å; D1002-R1005 PolarHBondContact O-N 3.37Å; D1002-R1005 IonicContact OD1-CZ 2.74Å; D1002-R1005 IonicContact OD1-NE 3.05Å; D1002-R1005 PolarHBondContact OD1-NE 3.44Å; D1002-R1005 IonicContact OD1-NH2 3.34Å; D1002-R1005 PolarHBondContact OD1-NH2 2.87Å; D1002-R1005 IonicContact OD2-NH2 3.47Å; R1005-Y1007 VanDerWaalsContact C-N 3.31Å; R1005-Y1007 PolarHBondContact O-N 3.27Å; R1005-I1008 PolarHBondContact O-N 2.84Å; R1005-L1009 WeakPolarHBondContact O-CB 3.47Å; R1005-L1009 PolarHBondContact O-N 2.8Å; R1005-V1017 HydrophobicContact CG-CG1 3.69Å; R1005-T1021 WeakPolarHBondContact CD-OG1 3.3Å; R1005-T1021 PolarHBondContact NH1-O 2.96Å; R1005-T1021 VanDerWaalsContact NH1-O 3.14Å; R1005-T1021 PolarHBondContact NH1-OG1 3.34Å
1006	R	96.3	Very high	95.6	Very high	0 Å²	0	68.3 Å²	68.3	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-65	-34.5	177.4	-67.7	-178.5	-61.2	-159.4	0.2	112	I936 T939 N942 D1002 E1003 V1004 L1009 R1010	I936-R1006 PolarHBondContact O-NH1 3.05Å; T939-R1006 WeakPolarHBondContact O-CD 3.47Å; T939-R1006 PolarHBondContact O-NH1 2.84Å; T939-R1006 PolarHBondContact OG1-NH1 2.71Å; N942-R1006 WeakPolarHBondContact O-CD 3.47Å; D1002-R1006 WeakPolarHBondContact O-CB 3.42Å; D1002-R1006 VanDerWaalsContact O-CG 3.3Å; D1002-R1006 WeakPolarHBondContact O-CG 3.3Å; D1002-R1006 PolarHBondContact O-N 2.98Å; D1002-R1006 VanDerWaalsContact OD2-CD 3.24Å; D1002-R1006 WeakPolarHBondContact OD2-CD 3.24Å; D1002-R1006 IonicContact OD2-CZ 3.42Å; D1002-R1006 IonicContact OD2-NE 3.06Å; D1002-R1006 PolarHBondContact OD2-NE 2.76Å; D1002-R1006 IonicContact OD2-NH1 2.87Å; D1002-R1006 PolarHBondContact OD2-NH1 3.31Å; D1002-R1006 IonicContact OD2-NH2 2.67Å; E1003-R1006 IonicContact OE2-CZ 3.06Å; E1003-R1006 IonicContact OE2-NE 3.53Å; E1003-R1006 IonicContact OE2-NH2 2.68Å; E1003-R1006 PolarHBondContact OE2-NH2 3.38Å; V1004-R1006 PolarHBondContact O-N 2.9Å; R1006-L1009 PolarHBondContact O-N 3.24Å; R1006-R1010 WeakPolarHBondContact O-CG 3.25Å; R1006-R1010 PolarHBondContact O-N 2.65Å; R1006-R1010 PolarHBondContact O-NH1 3.1Å
1007	Y	96.3	Very high	95.4	Very high	125 Å²	125	63.1 Å²	63.1	49%	0.49	31%	0.308	S	S	.	.	H	α-helix	trans	-61.6	-44.7	171.9	174.7	-103.9	0	0	0	112.2	E1003 V1004 R1005 R1010 R1011	E1003-Y1007 WeakPolarHBondContact O-CB 3.34Å; E1003-Y1007 PolarHBondContact O-N 3.04Å; V1004-Y1007 WeakPolarHBondContact O-CB 3.35Å; V1004-Y1007 PolarHBondContact O-N 3.11Å; R1005-Y1007 VanDerWaalsContact C-N 3.31Å; R1005-Y1007 PolarHBondContact O-N 3.27Å; Y1007-R1010 PolarHBondContact O-N 2.94Å; Y1007-R1011 WeakPolarHBondContact O-CB 3.32Å; Y1007-R1011 PolarHBondContact O-N 3.36Å
1008	I	95.6	Very high	95.1	Very high	72 Å²	72	61 Å²	61	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-43.1	176.1	-63.7	165.1	0	0	0	110.7	V1004 R1005 R1010 R1011 N1012 V1017	V1004-I1008 HydrophobicContact CG1-CD1 4.02Å; V1004-I1008 WeakPolarHBondContact O-CG1 3.32Å; V1004-I1008 PolarHBondContact O-N 3.27Å; R1005-I1008 PolarHBondContact O-N 2.84Å; I1008-R1010 PolarHBondContact O-N 3.14Å; I1008-R1011 PolarHBondContact O-N 2.92Å; I1008-R1011 VanDerWaalsContact O-N 3.16Å; I1008-N1012 PolarHBondContact O-N 3.46Å; I1008-V1017 HydrophobicContact CG2-CB 4.25Å; I1008-V1017 HydrophobicContact CG2-CG2 3.74Å
1009	L	93.8	Very high	94.8	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-58.9	-44.3	177.6	-168	167.7	0	0	0	111.6	R941 R1005 R1006 V1017 E1018 Y1022	R941-L1009 HydrophobicContact CG-CD2 3.94Å; R941-L1009 VanDerWaalsContact CZ-CD2 3.48Å; R1005-L1009 WeakPolarHBondContact O-CB 3.47Å; R1005-L1009 PolarHBondContact O-N 2.8Å; R1006-L1009 PolarHBondContact O-N 3.24Å; L1009-V1017 HydrophobicContact CB-CG1 4.37Å; L1009-E1018 HydrophobicContact CG-CB 4.22Å; L1009-E1018 HydrophobicContact CG-CG 4.46Å; L1009-Y1022 HydrophobicContact CD1-CD2 3.74Å; L1009-Y1022 HydrophobicContact CD1-CG 4.01Å
1010	R	94.6	Very high	94.6	Very high	56 Å²	56	67.4 Å²	67.4	21%	0.211	33%	0.326	C	S	.	.	H	α-helix	trans	-68	-34.9	175.8	-69.4	-173.8	-57.7	-90.3	4.4	112.8	R941 E1003 R1006 Y1007 I1008	R941-R1010 HydrophobicContact CG-CG 4.18Å; R941-R1010 WeakPolarHBondContact O-CD 3.39Å; R941-R1010 PolarHBondContact O-NH1 3.22Å; E1003-R1010 IonicContact OE1-NH2 2.62Å; R1006-R1010 WeakPolarHBondContact O-CG 3.25Å; R1006-R1010 PolarHBondContact O-N 2.65Å; R1006-R1010 PolarHBondContact O-NH1 3.1Å; Y1007-R1010 PolarHBondContact O-N 2.94Å; I1008-R1010 PolarHBondContact O-N 3.14Å
1011	R	95.1	Very high	94.4	Very high	192 Å²	192	63.6 Å²	63.6	73%	0.725	31%	0.306	S	S	*	.	H	α-helix	trans	-78	-30.2	-177.8	-168.6	178.8	-179.7	-169	1.8	113.1	Y1007 I1008	Y1007-R1011 WeakPolarHBondContact O-CB 3.32Å; Y1007-R1011 PolarHBondContact O-N 3.36Å; I1008-R1011 PolarHBondContact O-N 2.92Å; I1008-R1011 VanDerWaalsContact O-N 3.16Å
1012	N	93.6	Very high	94.3	Very high	99 Å²	99	62.4 Å²	62.4	53%	0.529	30%	0.302	S	S	.	.	S	Bend	trans	-130	71.7	-177.5	-167.6	20.9	0	0	0	112	I1008 G1015	I1008-N1012 PolarHBondContact O-N 3.46Å; N1012-G1015 PolarHBondContact O-N 3.47Å; N1012-G1015 VanDerWaalsContact O-N 3.17Å
1013	P	91	Very high	93.9	Very high	85 Å²	85	62.9 Å²	62.9	55%	0.552	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	135.5	177.1	27.4	-33.9	0	0	0	111.1	G1015 E1018	P1013-G1015 VanDerWaalsContact C-N 3.3Å; P1013-E1018 WeakPolarHBondContact CA-OE2 3.42Å
1014	G	89.6	Confident	93.7	Very high	49 Å²	49	64.5 Å²	64.5	51%	0.505	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	-5.4	-174.1	0	0	0	0	0	114.6	E1018 Q1019	G1014-E1018 PolarHBondContact N-OE2 3.24Å; G1014-Q1019 PolarHBondContact O-NE2 3.12Å; G1014-Q1019 VanDerWaalsContact O-NE2 3.08Å
1015	G	91.4	Very high	93.6	Very high	12 Å²	12	64.2 Å²	64.2	12%	0.124	31%	0.306	C	S	.	.	S	Bend	trans	-74.2	175.9	-179.5	0	0	0	0	0	114.4	N1012 P1013 V1017 E1018 Q1019	N1012-G1015 PolarHBondContact O-N 3.47Å; N1012-G1015 VanDerWaalsContact O-N 3.17Å; P1013-G1015 VanDerWaalsContact C-N 3.3Å; G1015-V1017 VanDerWaalsContact C-N 3.32Å; G1015-V1017 PolarHBondContact O-N 3.42Å; G1015-E1018 PolarHBondContact O-N 3.42Å; G1015-E1018 VanDerWaalsContact O-N 3.08Å; G1015-Q1019 PolarHBondContact O-N 2.91Å
1016	W	93.5	Very high	93.4	Very high	181 Å²	181	67.2 Å²	67.2	69%	0.686	32%	0.321	S	S	*	.	H	α-helix	trans	-54.6	-42.1	-177.1	-175.1	79.3	0	0	0	113.6	E1018 Q1019 E1020	W1016-E1018 VanDerWaalsContact C-N 3.3Å; W1016-E1018 PolarHBondContact O-N 3.25Å; W1016-Q1019 PolarHBondContact O-N 2.7Å; W1016-Q1019 VanDerWaalsContact O-N 3.17Å; W1016-E1020 HydrophobicContact CD2-CG 3.99Å; W1016-E1020 HydrophobicContact CG-CG 4.29Å; W1016-E1020 HydrophobicContact CH2-CG 4.49Å; W1016-E1020 HydrophobicContact CZ2-CB 4.46Å; W1016-E1020 HydrophobicContact CZ2-CG 3.83Å; W1016-E1020 WeakPolarHBondContact O-CB 3.32Å; W1016-E1020 WeakPolarHBondContact O-CG 3.36Å; W1016-E1020 PolarHBondContact O-N 3.23Å
1017	V	93.3	Very high	93.2	Very high	27 Å²	27	71.2 Å²	71.2	16%	0.164	34%	0.339	C	S	.	.	H	α-helix	trans	-61.7	-37.2	179.4	179	0	0	0	0	111.9	R1005 I1008 L1009 G1015 T1021	R1005-V1017 HydrophobicContact CG-CG1 3.69Å; I1008-V1017 HydrophobicContact CG2-CB 4.25Å; I1008-V1017 HydrophobicContact CG2-CG2 3.74Å; L1009-V1017 HydrophobicContact CB-CG1 4.37Å; G1015-V1017 VanDerWaalsContact C-N 3.32Å; G1015-V1017 PolarHBondContact O-N 3.42Å; V1017-T1021 WeakPolarHBondContact CG1-OG1 3.21Å; V1017-T1021 WeakPolarHBondContact O-CB 3.27Å; V1017-T1021 PolarHBondContact O-N 3.26Å; V1017-T1021 PolarHBondContact O-OG1 3.09Å
1018	E	92.3	Very high	93	Very high	39 Å²	39	67.8 Å²	67.8	18%	0.182	33%	0.33	C	S	.	.	H	α-helix	trans	-71	-39.8	176.9	-173	164	-156.2	0	0	111.4	R941 L1009 P1013 G1014 G1015 W1016 E1020 Y1022	R941-E1018 IonicContact NH1-OE1 3.93Å; R941-E1018 PolarHBondContact NH1-OE1 3.14Å; L1009-E1018 HydrophobicContact CG-CB 4.22Å; L1009-E1018 HydrophobicContact CG-CG 4.46Å; P1013-E1018 WeakPolarHBondContact CA-OE2 3.42Å; G1014-E1018 PolarHBondContact N-OE2 3.24Å; G1015-E1018 PolarHBondContact O-N 3.42Å; G1015-E1018 VanDerWaalsContact O-N 3.08Å; W1016-E1018 VanDerWaalsContact C-N 3.3Å; W1016-E1018 PolarHBondContact O-N 3.25Å; E1018-E1020 PolarHBondContact O-N 3.46Å; E1018-Y1022 HydrophobicContact CG-CD1 4.14Å; E1018-Y1022 HydrophobicContact CG-CG 4.33Å; E1018-Y1022 WeakPolarHBondContact O-CB 3.48Å; E1018-Y1022 PolarHBondContact O-N 3.12Å
1019	Q	91.1	Very high	92.8	Very high	110 Å²	110	67.5 Å²	67.5	51%	0.514	33%	0.327	S	S	.	.	H	α-helix	trans	-70.1	-29.5	-179.4	-64.2	-178	9.9	0	0	113.5	R848 G1014 G1015 W1016	R848-Q1019 WeakPolarHBondContact CD-O 3.44Å; R848-Q1019 PolarHBondContact NE-O 3.17Å; R848-Q1019 PolarHBondContact NH2-O 3.01Å; G1014-Q1019 PolarHBondContact O-NE2 3.12Å; G1014-Q1019 VanDerWaalsContact O-NE2 3.08Å; G1015-Q1019 PolarHBondContact O-N 2.91Å; W1016-Q1019 PolarHBondContact O-N 2.7Å; W1016-Q1019 VanDerWaalsContact O-N 3.17Å
1020	E	93.6	Very high	92.8	Very high	85 Å²	85	72.3 Å²	72.3	40%	0.397	35%	0.35	S	S	.	.	H	α-helix	trans	-100.2	-31.7	-176.6	-65.2	-62.9	159.3	0	0	113.6	W1016 E1018	W1016-E1020 HydrophobicContact CD2-CG 3.99Å; W1016-E1020 HydrophobicContact CG-CG 4.29Å; W1016-E1020 HydrophobicContact CH2-CG 4.49Å; W1016-E1020 HydrophobicContact CZ2-CB 4.46Å; W1016-E1020 HydrophobicContact CZ2-CG 3.83Å; W1016-E1020 WeakPolarHBondContact O-CB 3.32Å; W1016-E1020 WeakPolarHBondContact O-CG 3.36Å; W1016-E1020 PolarHBondContact O-N 3.23Å; E1018-E1020 PolarHBondContact O-N 3.46Å
1021	T	93.9	Very high	92.6	Very high	7 Å²	7	73.5 Å²	73.5	4%	0.043	36%	0.361	C	S	.	.	H	α-helix	trans	-121.8	-9.6	-167.6	76.3	0	0	0	0	115.2	M852 R1005 V1017 Y1023	M852-T1021 VanDerWaalsContact SD-CB 3.57Å; M852-T1021 HydrophobicContact SD-CG2 3.88Å; R1005-T1021 WeakPolarHBondContact CD-OG1 3.3Å; R1005-T1021 PolarHBondContact NH1-O 2.96Å; R1005-T1021 VanDerWaalsContact NH1-O 3.14Å; R1005-T1021 PolarHBondContact NH1-OG1 3.34Å; V1017-T1021 WeakPolarHBondContact CG1-OG1 3.21Å; V1017-T1021 WeakPolarHBondContact O-CB 3.27Å; V1017-T1021 PolarHBondContact O-N 3.26Å; V1017-T1021 PolarHBondContact O-OG1 3.09Å; T1021-Y1023 WeakPolarHBondContact O-CD1 3.37Å; T1021-Y1023 PolarHBondContact O-N 3.21Å
1022	Y	95.2	Very high	92.4	Very high	58 Å²	58	63.7 Å²	63.7	23%	0.227	33%	0.331	C	S	.	.			trans	-85.3	91.8	176.2	-171.1	-124.7	0	0	0	110	R848 R940 R941 L1009 E1018	R848-Y1022 WeakPolarHBondContact CD-O 3.49Å; R848-Y1022 PolarHBondContact NH1-O 3.3Å; R940-Y1022 HydrophobicContact CB-CE2 3.96Å; R941-Y1022 HydrophobicContact CB-CE2 3.94Å; L1009-Y1022 HydrophobicContact CD1-CD2 3.74Å; L1009-Y1022 HydrophobicContact CD1-CG 4.01Å; E1018-Y1022 HydrophobicContact CG-CD1 4.14Å; E1018-Y1022 HydrophobicContact CG-CG 4.33Å; E1018-Y1022 WeakPolarHBondContact O-CB 3.48Å; E1018-Y1022 PolarHBondContact O-N 3.12Å
1023	Y	90.7	Very high	92.3	Very high	12 Å²	12	60.5 Å²	60.5	5%	0.047	31%	0.313	C	S	.	.			trans	-80.6	0	177.7	58	-94.2	0	0	0	112.2	K773 A777 L849 M852 R940 T1021	K773-Y1023 PolarHBondContact NZ-OXT 3.22Å; A777-Y1023 HydrophobicContact CB-CE2 3.87Å; L849-Y1023 VanDerWaalsContact CA-CB 3.49Å; L849-Y1023 HydrophobicContact CB-CD2 4.5Å; L849-Y1023 HydrophobicContact CB-CG 4.21Å; L849-Y1023 HydrophobicContact CD1-CD2 4.01Å; L849-Y1023 HydrophobicContact CG-CD2 4.07Å; L849-Y1023 HydrophobicContact CG-CG 4.21Å; M852-Y1023 HydrophobicContact CB-CD1 4.04Å; M852-Y1023 HydrophobicContact CB-CE1 4.12Å; M852-Y1023 HydrophobicContact CG-CD1 3.91Å; M852-Y1023 HydrophobicContact CG-CE1 4.17Å; R940-Y1023 HydrophobicContact CG-CD2 4.35Å; R940-Y1023 HydrophobicContact CG-CE2 3.8Å; R940-Y1023 PolarHBondContact NE-O 2.88Å; R940-Y1023 VanDerWaalsContact NH2-C 3.3Å; R940-Y1023 PolarHBondContact NH2-O 3.3Å; R940-Y1023 PolarHBondContact NH2-OXT 3.35Å; T1021-Y1023 WeakPolarHBondContact O-CD1 3.37Å; T1021-Y1023 PolarHBondContact O-N 3.21Å

Retrieved 1,023 of 1,023 residues in 477.4 ms (Link to these results)

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